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

C24H23ClN2O2 — CID 43887660

IUPAC4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C24H23ClN2O2/c1-17(18-7-3-2-4-8-18)26-24(29)20-11-14-21(15-12-20)27-23(28)16-13-19-9-5-6-10-22(19)25/h2-12,14-15,17H,13,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyNHCCVXXKKKUAFN-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.40
Rot. Bonds7

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

4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide (PubChem CID 43887660) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
PubChem CID43887660
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1)c1ccccc1
InChIInChI=1S/C24H23ClN2O2/c1-17(18-7-3-2-4-8-18)26-24(29)20-11-14-21(15-12-20)27-23(28)16-13-19-9-5-6-10-22(19)25/h2-12,14-15,17H,13,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyNHCCVXXKKKUAFN-UHFFFAOYSA-N
XLogP5.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.40
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
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-[3-(2-chlorophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 17230319
N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide
CID 17179121
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
N-(1-phenylethyl)-4-(3-phenylpropanoylcarbamothioylamino)benzamide
CID 43887903
4-[2-(2,3-dichlorophenyl)ethylsulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 69185833
N-(1-phenylethyl)-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 43887555
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813381
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832397

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide (CID 43887660) is 4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1)c1ccccc1.
What is the InChIKey of 4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is NHCCVXXKKKUAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-17(18-7-3-2-4-8-18)26-24(29)20-11-14-21(15-12-20)27-23(28)16-13-19-9-5-6-10-22(19)25/h2-12,14-15,17H,13,16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide?
4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 406.91 g/mol, XLogP of 5.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43887660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).