1549490-65-4

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Also known as: 1549490-65-4, Mfcd24172959, N-ethyl-5-fluoro-2-hydroxy-n-(propan-2-yl)benzamide, N-ethyl-5-fluoro-2-hydroxy-n-isopropylbenzamide, Schembl23569482, Ps-18816

Molecular Formula

C₁₂H₁₆FNO₂

Molecular Weight

225.26 g/mol

InChI Key

SSWVYDFXIPCMQV-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-ethyl-5-fluoro-2-hydroxy-N-propan-2-ylbenzamide

2.1.2 InChI

InChI=1S/C12H16FNO2/c1-4-14(8(2)3)12(16)10-7-9(13)5-6-11(10)15/h5-8,15H,4H2,1-3H3

2.1.3 InChI Key

SSWVYDFXIPCMQV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1549490-65-4

2. Mfcd24172959

3. N-ethyl-5-fluoro-2-hydroxy-n-(propan-2-yl)benzamide

4. N-ethyl-5-fluoro-2-hydroxy-n-isopropylbenzamide

5. Schembl23569482

6. Ps-18816

7. Sy323302

8. F88960

9. N-ethyl-5-fluoro-2-hydroxy-n-propan-2-ylbenzamide

10. Benzamide, N-ethyl-5-fluoro-2-hydroxy-n-(1-methylethyl)

2.3 Create Date

2016-01-29

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₆FNO₂
Molecular Weight	225.26 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	40.5
Heavy Atom Count	16
Formal Charge	0
Complexity	245
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

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