2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide

C28H30ClN3O3 — CID 54827792

IUPAC2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESO=C(CNc1ccccc1OCc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C28H30ClN3O3/c29-24-16-15-22(17-23(24)28(34)32-21-11-5-2-6-12-21)31-27(33)18-30-25-13-7-8-14-26(25)35-19-20-9-3-1-4-10-20/h1,3-4,7-10,13-17,21,30H,2,5-6,11-12,18-19H2,(H,31,33)(H,32,34)
InChIKeySSJMLWHIHXGEBX-UHFFFAOYSA-N
MW492.02 g/mol
LogP6.03
Rot. Bonds9

About 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide (PubChem CID 54827792) has the molecular formula C28H30ClN3O3 and a molecular weight of 492.02 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
PubChem CID54827792
Molecular FormulaC28H30ClN3O3
Molecular Weight492.02 g/mol
Exact Mass491.20
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
SMILESO=C(CNc1ccccc1OCc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C28H30ClN3O3/c29-24-16-15-22(17-23(24)28(34)32-21-11-5-2-6-12-21)31-27(33)18-30-25-13-7-8-14-26(25)35-19-20-9-3-1-4-10-20/h1,3-4,7-10,13-17,21,30H,2,5-6,11-12,18-19H2,(H,31,33)(H,32,34)
InChIKeySSJMLWHIHXGEBX-UHFFFAOYSA-N
XLogP6.03
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 56.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]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-[2-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54826777
2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824326
5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54828074
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-N-cyclohexyl-5-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819816
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006
2-chloro-N-cyclohexyl-5-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54832913
N-cyclohexyl-3-[[2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54830968
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-chloro-N-cyclohexyl-5-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]benzamide
CID 54832996
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide (CID 54827792) is 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide is O=C(CNc1ccccc1OCc1ccccc1)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide?
The InChIKey is SSJMLWHIHXGEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O3/c29-24-16-15-22(17-23(24)28(34)32-21-11-5-2-6-12-21)31-27(33)18-30-25-13-7-8-14-26(25)35-19-20-9-3-1-4-10-20/h1,3-4,7-10,13-17,21,30H,2,5-6,11-12,18-19H2,(H,31,33)(H,32,34).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide has a molecular weight of 492.02 g/mol, XLogP of 6.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54827792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).