2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide

C23H23N3O2 — CID 54795752

IUPAC2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)Cc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-16(18-7-3-2-4-8-18)25-23(28)20-9-5-6-10-21(20)26-22(27)15-17-11-13-19(24)14-12-17/h2-14,16H,15,24H2,1H3,(H,25,28)(H,26,27)
InChIKeyRIUXDFKJJCSATP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.94
Rot. Bonds6

About 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54795752) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54795752
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)Cc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-16(18-7-3-2-4-8-18)25-23(28)20-9-5-6-10-21(20)26-22(27)15-17-11-13-19(24)14-12-17/h2-14,16H,15,24H2,1H3,(H,25,28)(H,26,27)
InChIKeyRIUXDFKJJCSATP-UHFFFAOYSA-N
XLogP3.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-[[2-(2-methylphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16557303
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 92540793
2-[3-(4-fluorophenyl)propanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 92540792
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-phenylethyl 4-oxo-4-[2-(1-phenylethylcarbamoyl)anilino]butanoate
CID 4946844
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-hydroxybenzoate
CID 7866708
N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515328

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54795752) is 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)Cc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is RIUXDFKJJCSATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16(18-7-3-2-4-8-18)25-23(28)20-9-5-6-10-21(20)26-22(27)15-17-11-13-19(24)14-12-17/h2-14,16H,15,24H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54795752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).