(3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

C21H22ClN3O4 — CID 29134608

IUPAC(3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C21H22ClN3O4/c1-29-18-8-3-2-7-17(18)21(28)24-10-9-23-20(27)14-11-19(26)25(13-14)16-6-4-5-15(22)12-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,27)(H,24,28)/t14-/m1/s1
InChIKeyQNPSOIWIPRTYLV-CQSZACIVSA-N
MW415.88 g/mol
LogP2.25
Rot. Bonds7

About (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 29134608) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID29134608
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name(3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1
InChIInChI=1S/C21H22ClN3O4/c1-29-18-8-3-2-7-17(18)21(28)24-10-9-23-20(27)14-11-19(26)25(13-14)16-6-4-5-15(22)12-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,27)(H,24,28)/t14-/m1/s1
InChIKeyQNPSOIWIPRTYLV-CQSZACIVSA-N
XLogP2.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587015
(3S)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29134760
1-(3-chlorophenyl)-N-[2-[(3-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42953112
(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29127931
(3R)-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29128365
N-[2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1-methylindole-3-carboxamide
CID 39349849
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
(3S)-N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39351536
1-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46584016
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 29134608) is (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1C(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QNPSOIWIPRTYLV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-29-18-8-3-2-7-17(18)21(28)24-10-9-23-20(27)14-11-19(26)25(13-14)16-6-4-5-15(22)12-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,27)(H,24,28)/t14-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29134608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).