N-(4-acetamido-3-methylphenyl)-3-aminobenzamide

C16H17N3O2 — CID 43698803

IUPACN-(4-acetamido-3-methylphenyl)-3-aminobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(N)c2)cc1C
InChIInChI=1S/C16H17N3O2/c1-10-8-14(6-7-15(10)18-11(2)20)19-16(21)12-4-3-5-13(17)9-12/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNOQAORCSEQCIHV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.79
Rot. Bonds3

About N-(4-acetamido-3-methylphenyl)-3-aminobenzamide

N-(4-acetamido-3-methylphenyl)-3-aminobenzamide (PubChem CID 43698803) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-3-aminobenzamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-3-aminobenzamide
PubChem CID43698803
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(4-acetamido-3-methylphenyl)-3-aminobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(N)c2)cc1C
InChIInChI=1S/C16H17N3O2/c1-10-8-14(6-7-15(10)18-11(2)20)19-16(21)12-4-3-5-13(17)9-12/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNOQAORCSEQCIHV-UHFFFAOYSA-N
XLogP2.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide
CID 176973912
1-N,3-N-bis[3-[(3-aminobenzoyl)amino]-4-methylphenyl]-4-hydroxybenzene-1,3-dicarboxamide
CID 139753100
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride
CID 119765605
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]benzamide
CID 119798978
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-3-aminobenzamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-3-aminobenzamide (CID 43698803) is N-(4-acetamido-3-methylphenyl)-3-aminobenzamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-3-aminobenzamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-3-aminobenzamide is CC(=O)Nc1ccc(NC(=O)c2cccc(N)c2)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-3-aminobenzamide?
The InChIKey is NOQAORCSEQCIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-8-14(6-7-15(10)18-11(2)20)19-16(21)12-4-3-5-13(17)9-12/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamido-3-methylphenyl)-3-aminobenzamide?
N-(4-acetamido-3-methylphenyl)-3-aminobenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-3-aminobenzamide is sourced from PubChem (CID 43698803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).