3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide

C23H21ClN2O2 — CID 43877795

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-16(18-6-3-2-4-7-18)25-23(28)19-8-5-9-21(15-19)26-22(27)14-17-10-12-20(24)13-11-17/h2-13,15-16H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeySQHGEVJPLXBWPH-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.01
Rot. Bonds6

About 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 43877795) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID43877795
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-16(18-6-3-2-4-7-18)25-23(28)19-8-5-9-21(15-19)26-22(27)14-17-10-12-20(24)13-11-17/h2-13,15-16H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeySQHGEVJPLXBWPH-UHFFFAOYSA-N
XLogP5.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887548
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54810893
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 879496
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
3-[[2-(4-ethylphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877775

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 43877795) is 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is SQHGEVJPLXBWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-16(18-6-3-2-4-7-18)25-23(28)19-8-5-9-21(15-19)26-22(27)14-17-10-12-20(24)13-11-17/h2-13,15-16H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 392.89 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43877795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).