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2 Drugs in Development

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Chemistry

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Also known as: 15533-81-0, Propanamide, n-(3,4-dichlorophenyl)-n-methyl-, N-(3,4-dichlorophenyl)-n-methylpropionamide, Mfcd31802023, Orb2945554, Schembl15378617

Molecular Formula

C₁₀H₁₁Cl₂NO

Molecular Weight

232.10 g/mol

InChI Key

VIFWCQRBNMGEEA-UHFFFAOYSA-N

1 2D Structure

N-(3,4-Dichlorophenyl)-N-methylpropanamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(3,4-dichlorophenyl)-N-methylpropanamide

2.1.2 InChI

InChI=1S/C10H11Cl2NO/c1-3-10(14)13(2)7-4-5-8(11)9(12)6-7/h4-6H,3H2,1-2H3

2.1.3 InChI Key

VIFWCQRBNMGEEA-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 15533-81-0

2. Propanamide, N-(3,4-dichlorophenyl)-n-methyl-

3. N-(3,4-dichlorophenyl)-n-methylpropionamide

4. Mfcd31802023

5. Orb2945554

6. Schembl15378617

7. Dtxsid60776855

8. Elp-004

9. Akos037646109

10. Hy-w641445

11. As-66633

12. N-(3,4-dichlorophenyl)-n-methyl-propanamide

13. D85719

2.3 Create Date

2013-05-22

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁Cl₂NO
Molecular Weight	232.10 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	20.3
Heavy Atom Count	14
Formal Charge	0
Complexity	210
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1