(2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

C19H25ClN2O3 — CID 92719895

IUPAC(2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N1C(=O)CC[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C19H25ClN2O3/c1-12-10-15(16(25-3)11-14(12)20)22-17(23)8-9-19(22,2)18(24)21-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,21,24)/t19-/m0/s1
InChIKeyIBXWXNOVZHNXGG-IBGZPJMESA-N
MW364.87 g/mol
LogP3.60
Rot. Bonds4

About (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 92719895) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID92719895
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name(2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N1C(=O)CC[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C19H25ClN2O3/c1-12-10-15(16(25-3)11-14(12)20)22-17(23)8-9-19(22,2)18(24)21-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,21,24)/t19-/m0/s1
InChIKeyIBXWXNOVZHNXGG-IBGZPJMESA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopentyl-1-(2,3-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719871
1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 113191458
N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 22429047
N-cyclopentyl-1-(4-fluorophenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247039
N-cyclooctyl-1-(2-methoxy-5-methylphenyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 20909301
1-(4-chloro-2-methoxy-5-methylphenyl)piperidin-4-one
CID 24692834
4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
CID 113110644
(2S)-N-cyclopentyl-1-(3-ethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734230
N-cyclopentyl-1-ethyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 45106070
1-(5-chloro-2,4-dimethoxyphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 50808080
1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 4099290
N-cyclopentyl-1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247056

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 92719895) is (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is COc1cc(Cl)c(C)cc1N1C(=O)CC[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is IBXWXNOVZHNXGG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-12-10-15(16(25-3)11-14(12)20)22-17(23)8-9-19(22,2)18(24)21-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,21,24)/t19-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 364.87 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-2-methoxy-5-methylphenyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92719895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).