(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide

C20H21ClN2O3 — CID 125169662

IUPAC(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cc(Cl)ccc3OC)c2)C1
InChIInChI=1S/C20H21ClN2O3/c1-22-19(24)15-8-9-23(12-15)20(25)14-5-3-4-13(10-14)17-11-16(21)6-7-18(17)26-2/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyWPVDXHCVIQBQEU-HNNXBMFYSA-N
MW372.85 g/mol
LogP3.22
Rot. Bonds4

About (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide

(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 125169662) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID125169662
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cc(Cl)ccc3OC)c2)C1
InChIInChI=1S/C20H21ClN2O3/c1-22-19(24)15-8-9-23(12-15)20(25)14-5-3-4-13(10-14)17-11-16(21)6-7-18(17)26-2/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyWPVDXHCVIQBQEU-HNNXBMFYSA-N
XLogP3.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
1-[3-(4-chloro-2-methylphenyl)benzoyl]-N-ethylpyrrolidine-3-carboxamide
CID 119070931
[3-(5-chloro-2-methoxyphenyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118774871
1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91784718
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320
1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 134802123
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 61440069
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 126013520
methyl 5-chloro-2-[[1-[3-(furan-3-yl)benzoyl]piperidine-3-carbonyl]amino]benzoate
CID 66680441

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide (CID 125169662) is (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@H]1CCN(C(=O)c2cccc(-c3cc(Cl)ccc3OC)c2)C1.
What is the InChIKey of (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is WPVDXHCVIQBQEU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-22-19(24)15-8-9-23(12-15)20(25)14-5-3-4-13(10-14)17-11-16(21)6-7-18(17)26-2/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide?
(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 125169662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).