2-[2-(3-aminophenyl)propanoylamino]benzamide

C16H17N3O2 — CID 106590933

IUPAC2-[2-(3-aminophenyl)propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccccc1C(N)=O)c1cccc(N)c1
InChIInChI=1S/C16H17N3O2/c1-10(11-5-4-6-12(17)9-11)16(21)19-14-8-3-2-7-13(14)15(18)20/h2-10H,17H2,1H3,(H2,18,20)(H,19,21)
InChIKeyOADARWUFLDQDCQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.11
Rot. Bonds4

About 2-[2-(3-aminophenyl)propanoylamino]benzamide

2-[2-(3-aminophenyl)propanoylamino]benzamide (PubChem CID 106590933) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[2-(3-aminophenyl)propanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-(3-aminophenyl)propanoylamino]benzamide
PubChem CID106590933
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[2-(3-aminophenyl)propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccccc1C(N)=O)c1cccc(N)c1
InChIInChI=1S/C16H17N3O2/c1-10(11-5-4-6-12(17)9-11)16(21)19-14-8-3-2-7-13(14)15(18)20/h2-10H,17H2,1H3,(H2,18,20)(H,19,21)
InChIKeyOADARWUFLDQDCQ-UHFFFAOYSA-N
XLogP2.11
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.11
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

2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide
CID 106591003
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
methyl 2-(2-phenylpropanoylamino)benzoate
CID 68817246
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
CID 106591393
2-(3-aminophenyl)-N-(2-chloro-6-methylphenyl)propanamide
CID 106591588

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminophenyl)propanoylamino]benzamide?
The IUPAC name of 2-[2-(3-aminophenyl)propanoylamino]benzamide (CID 106590933) is 2-[2-(3-aminophenyl)propanoylamino]benzamide.
What is the SMILES notation for 2-[2-(3-aminophenyl)propanoylamino]benzamide?
The canonical SMILES for 2-[2-(3-aminophenyl)propanoylamino]benzamide is CC(C(=O)Nc1ccccc1C(N)=O)c1cccc(N)c1.
What is the InChIKey of 2-[2-(3-aminophenyl)propanoylamino]benzamide?
The InChIKey is OADARWUFLDQDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(11-5-4-6-12(17)9-11)16(21)19-14-8-3-2-7-13(14)15(18)20/h2-10H,17H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[2-(3-aminophenyl)propanoylamino]benzamide?
2-[2-(3-aminophenyl)propanoylamino]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminophenyl)propanoylamino]benzamide is sourced from PubChem (CID 106590933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).