4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide

C16H17N3O2 — CID 60940099

IUPAC4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C16H17N3O2/c1-19(16(21)13-6-8-14(17)9-7-13)10-11-2-4-12(5-3-11)15(18)20/h2-9H,10,17H2,1H3,(H2,18,20)
InChIKeyAGYOTNLPXBREFQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.64
Rot. Bonds4

About 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide

4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide (PubChem CID 60940099) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
PubChem CID60940099
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C16H17N3O2/c1-19(16(21)13-6-8-14(17)9-7-13)10-11-2-4-12(5-3-11)15(18)20/h2-9H,10,17H2,1H3,(H2,18,20)
InChIKeyAGYOTNLPXBREFQ-UHFFFAOYSA-N
XLogP1.64
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.64
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-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81310441
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(4-aminophenyl)methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63183664
N-[(4-aminophenyl)methyl]-N-methylfuran-3-carboxamide
CID 43458127
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 38362636
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide?
The IUPAC name of 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide (CID 60940099) is 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide?
The InChIKey is AGYOTNLPXBREFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(16(21)13-6-8-14(17)9-7-13)10-11-2-4-12(5-3-11)15(18)20/h2-9H,10,17H2,1H3,(H2,18,20).
What are the key properties of 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide?
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide is sourced from PubChem (CID 60940099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).