1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide

C17H21ClN4O4 — CID 72910185

IUPAC1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCN3CCNC3=O)CC2=O)cc1Cl
InChIInChI=1S/C17H21ClN4O4/c1-26-14-3-2-12(9-13(14)18)22-10-11(8-15(22)23)16(24)19-4-6-21-7-5-20-17(21)25/h2-3,9,11H,4-8,10H2,1H3,(H,19,24)(H,20,25)
InChIKeyDQXJTFQSZFNPPE-UHFFFAOYSA-N
MW380.83 g/mol
LogP0.84
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide

1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 72910185) has the molecular formula C17H21ClN4O4 and a molecular weight of 380.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID72910185
Molecular FormulaC17H21ClN4O4
Molecular Weight380.83 g/mol
Exact Mass380.13
IUPAC Name1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCN3CCNC3=O)CC2=O)cc1Cl
InChIInChI=1S/C17H21ClN4O4/c1-26-14-3-2-12(9-13(14)18)22-10-11(8-15(22)23)16(24)19-4-6-21-7-5-20-17(21)25/h2-3,9,11H,4-8,10H2,1H3,(H,19,24)(H,20,25)
InChIKeyDQXJTFQSZFNPPE-UHFFFAOYSA-N
XLogP0.84
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 97124745
(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97137882
N-butan-2-yl-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187980
1-(3-chloro-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187995
(3R)-1-(3-chloro-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7325501
(3R)-1-(3-chloro-4-methoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97137942
methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9351959
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 131920666
N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110630800
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
1-(3,4-dimethoxyphenyl)-N-(4,4-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110421719
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 110620533

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 72910185) is 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCCN3CCNC3=O)CC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is DQXJTFQSZFNPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O4/c1-26-14-3-2-12(9-13(14)18)22-10-11(8-15(22)23)16(24)19-4-6-21-7-5-20-17(21)25/h2-3,9,11H,4-8,10H2,1H3,(H,19,24)(H,20,25).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 380.83 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-5-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 72910185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).