1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C19H25ClN2O3 — CID 113191458

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C19H25ClN2O3/c1-12-8-16(17(25-2)10-15(12)20)22-11-13(9-18(22)23)19(24)21-14-6-4-3-5-7-14/h8,10,13-14H,3-7,9,11H2,1-2H3,(H,21,24)
InChIKeyDLIIROAEXJFBFA-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.46
Rot. Bonds4

About 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide

1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191458) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113191458
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C19H25ClN2O3/c1-12-8-16(17(25-2)10-15(12)20)22-11-13(9-18(22)23)19(24)21-14-6-4-3-5-7-14/h8,10,13-14H,3-7,9,11H2,1-2H3,(H,21,24)
InChIKeyDLIIROAEXJFBFA-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
1-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191496
1-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191493
1-(2-chloro-4,6-dimethylphenyl)-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113187915
N-cyclooctyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152206
N-cyclohexyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160138
(3S)-N-cyclohexyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220443
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4787816
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119476469
(2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719895
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186079
(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056500

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 113191458) is 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is COc1cc(Cl)c(C)cc1N1CC(C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DLIIROAEXJFBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-12-8-16(17(25-2)10-15(12)20)22-11-13(9-18(22)23)19(24)21-14-6-4-3-5-7-14/h8,10,13-14H,3-7,9,11H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.87 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).