2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide

C23H27ClN2O2 — CID 60540414

IUPAC2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H27ClN2O2/c24-21-15-14-19(16-20(21)23(28)26-18-11-5-2-6-12-18)25-22(27)13-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,14-16,18H,2,5-7,10-13H2,(H,25,27)(H,26,28)
InChIKeyJBVSEAKLQAHDDX-UHFFFAOYSA-N
MW398.93 g/mol
LogP5.36
Rot. Bonds7

About 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide

2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide (PubChem CID 60540414) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
PubChem CID60540414
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H27ClN2O2/c24-21-15-14-19(16-20(21)23(28)26-18-11-5-2-6-12-18)25-22(27)13-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,14-16,18H,2,5-7,10-13H2,(H,25,27)(H,26,28)
InChIKeyJBVSEAKLQAHDDX-UHFFFAOYSA-N
XLogP5.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.93
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006
2-chloro-N-cyclohexyl-5-(3-phenylpropanoylcarbamothioylamino)benzamide
CID 17188686
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-N-cyclohexyl-5-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826777
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17188525
2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
CID 87026452
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-[[2-[3-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54827792
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide (CID 60540414) is 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide is O=C(CCCc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide?
The InChIKey is JBVSEAKLQAHDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-21-15-14-19(16-20(21)23(28)26-18-11-5-2-6-12-18)25-22(27)13-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,14-16,18H,2,5-7,10-13H2,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide?
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide has a molecular weight of 398.93 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide is sourced from PubChem (CID 60540414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).