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

C10H10N2O — CID 130011949

IUPACN-(3-cyano-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)c(C#N)c1
InChIInChI=1S/C10H10N2O/c1-7-3-4-10(12-8(2)13)5-9(7)6-11/h3-5H,1-2H3,(H,12,13)
InChIKeyPMNFEMVYQULAOB-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.83
Rot. Bonds1

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

N-(3-cyano-4-methylphenyl)acetamide (PubChem CID 130011949) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N-(3-cyano-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-methylphenyl)acetamide
PubChem CID130011949
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN-(3-cyano-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)c(C#N)c1
InChIInChI=1S/C10H10N2O/c1-7-3-4-10(12-8(2)13)5-9(7)6-11/h3-5H,1-2H3,(H,12,13)
InChIKeyPMNFEMVYQULAOB-UHFFFAOYSA-N
XLogP1.83
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dicyanophenyl)acetamide
CID 12938829
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55893081
1-(3,4-dicyanophenyl)-3-[3-[(3,4-dicyanophenyl)carbamoylamino]-4-methylphenyl]urea
CID 166823023
N-(4-cyano-2,5-dimethylphenyl)acetamide
CID 10910295
3-cyano-4-methylbenzoic acid
CID 10012188
N-(4-cyano-3,5-dimethylphenyl)acetamide
CID 171976448
N'-tert-butyl-N-(3-cyano-4-methylphenyl)benzenecarboximidamide
CID 132538491
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
N-(3,4-dicyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107794528
1-cyano-N-(3,4-dimethylphenyl)formamide
CID 4056837
N-(3-cyano-4-methylphenyl)-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 72853430

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methylphenyl)acetamide?
The IUPAC name of N-(3-cyano-4-methylphenyl)acetamide (CID 130011949) is N-(3-cyano-4-methylphenyl)acetamide.
What is the SMILES notation for N-(3-cyano-4-methylphenyl)acetamide?
The canonical SMILES for N-(3-cyano-4-methylphenyl)acetamide is CC(=O)Nc1ccc(C)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-methylphenyl)acetamide?
The InChIKey is PMNFEMVYQULAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-3-4-10(12-8(2)13)5-9(7)6-11/h3-5H,1-2H3,(H,12,13).
What are the key properties of N-(3-cyano-4-methylphenyl)acetamide?
N-(3-cyano-4-methylphenyl)acetamide has a molecular weight of 174.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methylphenyl)acetamide is sourced from PubChem (CID 130011949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).