(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide

C19H21ClN2O4 — CID 52530228

IUPAC(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C19H21ClN2O4/c1-12(16-6-4-10-26-16)21-18(23)15-5-3-9-22(15)19(24)14-11-13(20)7-8-17(14)25-2/h4,6-8,10-12,15H,3,5,9H2,1-2H3,(H,21,23)/t12-,15-/m0/s1
InChIKeyOSKCAMIWWPQRQM-WFASDCNBSA-N
MW376.84 g/mol
LogP3.42
Rot. Bonds5

About (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 52530228) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID52530228
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C19H21ClN2O4/c1-12(16-6-4-10-26-16)21-18(23)15-5-3-9-22(15)19(24)14-11-13(20)7-8-17(14)25-2/h4,6-8,10-12,15H,3,5,9H2,1-2H3,(H,21,23)/t12-,15-/m0/s1
InChIKeyOSKCAMIWWPQRQM-WFASDCNBSA-N
XLogP3.42
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275224
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275225
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
(2R)-1-(3,5-dichlorobenzoyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 95278526

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 52530228) is (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccco1.
What is the InChIKey of (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is OSKCAMIWWPQRQM-WFASDCNBSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-12(16-6-4-10-26-16)21-18(23)15-5-3-9-22(15)19(24)14-11-13(20)7-8-17(14)25-2/h4,6-8,10-12,15H,3,5,9H2,1-2H3,(H,21,23)/t12-,15-/m0/s1.
What are the key properties of (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chloro-2-methoxybenzoyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 52530228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).