N-(2-acetylphenyl)-3-amino-4-methylbenzamide

C16H16N2O2 — CID 110488218

IUPACN-(2-acetylphenyl)-3-amino-4-methylbenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C16H16N2O2/c1-10-7-8-12(9-14(10)17)16(20)18-15-6-4-3-5-13(15)11(2)19/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyMQAUKYJIAIPDMS-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.03
Rot. Bonds3

About N-(2-acetylphenyl)-3-amino-4-methylbenzamide

N-(2-acetylphenyl)-3-amino-4-methylbenzamide (PubChem CID 110488218) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-amino-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-amino-4-methylbenzamide
PubChem CID110488218
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(2-acetylphenyl)-3-amino-4-methylbenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C16H16N2O2/c1-10-7-8-12(9-14(10)17)16(20)18-15-6-4-3-5-13(15)11(2)19/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeyMQAUKYJIAIPDMS-UHFFFAOYSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
CID 43695797
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
CID 47421879
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
CID 63723613
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-amino-4-methylbenzamide?
The IUPAC name of N-(2-acetylphenyl)-3-amino-4-methylbenzamide (CID 110488218) is N-(2-acetylphenyl)-3-amino-4-methylbenzamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-amino-4-methylbenzamide?
The canonical SMILES for N-(2-acetylphenyl)-3-amino-4-methylbenzamide is CC(=O)c1ccccc1NC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of N-(2-acetylphenyl)-3-amino-4-methylbenzamide?
The InChIKey is MQAUKYJIAIPDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-7-8-12(9-14(10)17)16(20)18-15-6-4-3-5-13(15)11(2)19/h3-9H,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-acetylphenyl)-3-amino-4-methylbenzamide?
N-(2-acetylphenyl)-3-amino-4-methylbenzamide has a molecular weight of 268.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-amino-4-methylbenzamide is sourced from PubChem (CID 110488218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).