2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C24H29ClN4O3 — CID 54832945

IUPAC2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C24H29ClN4O3/c1-29(2)24(32)16-7-6-10-19(13-16)27-22(30)15-26-18-11-12-21(25)20(14-18)23(31)28-17-8-4-3-5-9-17/h6-7,10-14,17,26H,3-5,8-9,15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyXWKBLILZTVWZDQ-UHFFFAOYSA-N
MW456.97 g/mol
LogP4.15
Rot. Bonds7

About 2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54832945) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54832945
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C24H29ClN4O3/c1-29(2)24(32)16-7-6-10-19(13-16)27-22(30)15-26-18-11-12-21(25)20(14-18)23(31)28-17-8-4-3-5-9-17/h6-7,10-14,17,26H,3-5,8-9,15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyXWKBLILZTVWZDQ-UHFFFAOYSA-N
XLogP4.15
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833038
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
5-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54833251
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54833308
2-chloro-N-cyclohexyl-5-[[2-[3-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
2-chloro-5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54832968
2-chloro-N-cyclohexyl-5-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54833298
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831344
3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837306
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54832945) is 2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CN(C)C(=O)c1cccc(NC(=O)CNc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is XWKBLILZTVWZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-29(2)24(32)16-7-6-10-19(13-16)27-22(30)15-26-18-11-12-21(25)20(14-18)23(31)28-17-8-4-3-5-9-17/h6-7,10-14,17,26H,3-5,8-9,15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 456.97 g/mol, XLogP of 4.15, 7 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-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54832945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).