1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide

C21H29ClN2O3 — CID 55625468

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C21H29ClN2O3/c1-14-6-9-16(10-7-14)23(2)21(26)18-5-4-12-24(18)20(25)17-13-15(22)8-11-19(17)27-3/h8,11,13-14,16,18H,4-7,9-10,12H2,1-3H3
InChIKeyVBGCWXQTKQWDKW-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.99
Rot. Bonds4

About 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 55625468) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID55625468
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C21H29ClN2O3/c1-14-6-9-16(10-7-14)23(2)21(26)18-5-4-12-24(18)20(25)17-13-15(22)8-11-19(17)27-3/h8,11,13-14,16,18H,4-7,9-10,12H2,1-3H3
InChIKeyVBGCWXQTKQWDKW-UHFFFAOYSA-N
XLogP3.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide 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

3-[[1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232500
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
(5-chloro-2-methoxyphenyl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95336594
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 95271430
1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 55654348
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 95278534
[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561047
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide (CID 55625468) is 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is VBGCWXQTKQWDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O3/c1-14-6-9-16(10-7-14)23(2)21(26)18-5-4-12-24(18)20(25)17-13-15(22)8-11-19(17)27-3/h8,11,13-14,16,18H,4-7,9-10,12H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 392.93 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55625468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).