2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide

C24H26ClN3O3 — CID 60540482

IUPAC2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H26ClN3O3/c25-21-13-10-18(15-20(21)24(31)26-17-5-2-1-3-6-17)27-23(30)16-8-11-19(12-9-16)28-14-4-7-22(28)29/h8-13,15,17H,1-7,14H2,(H,26,31)(H,27,30)
InChIKeyCRBASEYUCINQAU-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.78
Rot. Bonds5

About 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide

2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide (PubChem CID 60540482) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
PubChem CID60540482
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H26ClN3O3/c25-21-13-10-18(15-20(21)24(31)26-17-5-2-1-3-6-17)27-23(30)16-8-11-19(12-9-16)28-14-4-7-22(28)29/h8-13,15,17H,1-7,14H2,(H,26,31)(H,27,30)
InChIKeyCRBASEYUCINQAU-UHFFFAOYSA-N
XLogP4.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N-cyclopentyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679166
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064480
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
CID 17188414
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide (CID 60540482) is 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide is O=C(Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
The InChIKey is CRBASEYUCINQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c25-21-13-10-18(15-20(21)24(31)26-17-5-2-1-3-6-17)27-23(30)16-8-11-19(12-9-16)28-14-4-7-22(28)29/h8-13,15,17H,1-7,14H2,(H,26,31)(H,27,30).
What are the key properties of 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide has a molecular weight of 439.94 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 60540482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).