2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide

C24H29ClN4O3 — CID 54833099

IUPAC2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C24H29ClN4O3/c1-2-22(30)27-18-9-6-10-19(13-18)28-23(31)15-26-17-11-12-21(25)20(14-17)24(32)29-16-7-4-3-5-8-16/h6,9-14,16,26H,2-5,7-8,15H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyUQBJOSDSLZGSRH-UHFFFAOYSA-N
MW456.97 g/mol
LogP4.80
Rot. Bonds8

About 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide (PubChem CID 54833099) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
PubChem CID54833099
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C24H29ClN4O3/c1-2-22(30)27-18-9-6-10-19(13-18)28-23(31)15-26-17-11-12-21(25)20(14-17)24(32)29-16-7-4-3-5-8-16/h6,9-14,16,26H,2-5,7-8,15H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyUQBJOSDSLZGSRH-UHFFFAOYSA-N
XLogP4.80
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]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-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-[3-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832945
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
5-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833251
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
2-chloro-N-cyclohexyl-5-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54833165
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
2-chloro-N-cyclohexyl-5-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]benzamide
CID 54832996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide (CID 54833099) is 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide is CCC(=O)Nc1cccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide?
The InChIKey is UQBJOSDSLZGSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-2-22(30)27-18-9-6-10-19(13-18)28-23(31)15-26-17-11-12-21(25)20(14-17)24(32)29-16-7-4-3-5-8-16/h6,9-14,16,26H,2-5,7-8,15H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide has a molecular weight of 456.97 g/mol, XLogP of 4.80, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54833099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).