2-cyano-N-(2-methylphenyl)acetamide

C10H10N2O — CID 304920

IUPAC2-cyano-N-(2-methylphenyl)acetamide
SMILESCC1=CC=CC=C1NC(=O)CC#N
InChIInChI=1S/C10H10N2O/c1-8-4-2-3-5-9(8)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyYNVNCLRDLWQWAA-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.30
Rot. Bonds2

About 2-cyano-N-(2-methylphenyl)acetamide

2-cyano-N-(2-methylphenyl)acetamide (PubChem CID 304920) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-cyano-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylphenyl)acetamide
PubChem CID304920
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-cyano-N-(2-methylphenyl)acetamide
SMILESCC1=CC=CC=C1NC(=O)CC#N
InChIInChI=1S/C10H10N2O/c1-8-4-2-3-5-9(8)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyYNVNCLRDLWQWAA-UHFFFAOYSA-N
XLogP1.30
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity228

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetanilide
CID 904
2-Hydroxyquinoline
CID 6038
Prilocaine
CID 4906
Tocainide
CID 38945
Teriflunomide
CID 54684141
Prilocaine Hydrochloride
CID 92163
N-(3-Methylphenyl)acetamide
CID 10843
2-Methylacetanilide
CID 12107
4-Methylquinolin-2-ol
CID 69088
4-Methylacetanilide
CID 7684
N-acetyl-o-toluidine
CID 8443
N-Acetyl-4-aminobiphenyl
CID 19998

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(2-methylphenyl)acetamide (CID 304920) is 2-cyano-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methylphenyl)acetamide is CC1=CC=CC=C1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-methylphenyl)acetamide?
The InChIKey is YNVNCLRDLWQWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-4-2-3-5-9(8)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-cyano-N-(2-methylphenyl)acetamide?
2-cyano-N-(2-methylphenyl)acetamide has a molecular weight of 174.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 304920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).