1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(4-cyano-3-methylphenyl)acetamide

2.1.2 InChI

InChI=1S/C10H10N2O/c1-7-5-10(12-8(2)13)4-3-9(7)6-11/h3-5H,1-2H3,(H,12,13)

2.1.3 InChI Key

SRCREJLHAPEANJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)NC(=O)C)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 321162-59-8

2. N-(4-cyano-3-methylphenyl)acetamide

3. 4'-cyano-3'-methylacetanilide

4. Schembl22626109

5. Dtxsid50372027

6. 4-acetamido-2-methyl Benzonitrile

7. Zinc404119

8. Act08034

9. Mfcd02258877

10. 2-methyl-4-(acetylamino)benzonitrile

11. Akos024348966

12. Ps-3017

13. 4-acetamido-2-methylbenzonitrile, 97%

14. Da-21512

15. Cs-0314112

16. Ft-0736129

17. A875709

18. J-018639

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀N₂O
Molecular Weight	174.20 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	174.079312947 g/mol
Monoisotopic Mass	174.079312947 g/mol
Topological Polar Surface Area	52.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	241
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

CAS 321162-59-8