4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C18H23ClN2O2 — CID 9273089

IUPAC4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C18H23ClN2O2/c1-12-5-2-3-6-15(12)20-18(23)13-8-9-14(19)16(11-13)21-10-4-7-17(21)22/h8-9,11-12,15H,2-7,10H2,1H3,(H,20,23)/t12-,15-/m1/s1
InChIKeyLOQCKXBMIOGNEV-IUODEOHRSA-N
MW334.85 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9273089) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9273089
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C18H23ClN2O2/c1-12-5-2-3-6-15(12)20-18(23)13-8-9-14(19)16(11-13)21-10-4-7-17(21)22/h8-9,11-12,15H,2-7,10H2,1H3,(H,20,23)/t12-,15-/m1/s1
InChIKeyLOQCKXBMIOGNEV-IUODEOHRSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
4-chloro-N'-(cyclohexanecarbonyl)-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9327303
N-[(1S,2R)-2-methylcyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9272837
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786
3-chloro-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 82780893
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 16564145
4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9163408
N-[(1R,2S)-2-methylcyclohexyl]-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide
CID 40790971

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9273089) is 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide is C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LOQCKXBMIOGNEV-IUODEOHRSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-12-5-2-3-6-15(12)20-18(23)13-8-9-14(19)16(11-13)21-10-4-7-17(21)22/h8-9,11-12,15H,2-7,10H2,1H3,(H,20,23)/t12-,15-/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 334.85 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R)-2-methylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9273089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).