1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C19H19ClN2O3 — CID 110374015

IUPAC1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-17-5-3-2-4-13(17)12-21-19(24)16-10-11-18(23)22(16)15-8-6-14(20)7-9-15/h2-9,16H,10-12H2,1H3,(H,21,24)
InChIKeyHWDTTXGVNWJAFW-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110374015) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110374015
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c1-25-17-5-3-2-4-13(17)12-21-19(24)16-10-11-18(23)22(16)15-8-6-14(20)7-9-15/h2-9,16H,10-12H2,1H3,(H,21,24)
InChIKeyHWDTTXGVNWJAFW-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110374043
1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110374046
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 22421992
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 7548992
(2S)-1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95074323
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
5-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-4H-pyrazolo[4,5-f][1,4]thiazepine-4-carboxamide
CID 46338521
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 135102017
(2S,3S)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 98186464
1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955907

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110374015) is 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is COc1ccccc1CNC(=O)C1CCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HWDTTXGVNWJAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-25-17-5-3-2-4-13(17)12-21-19(24)16-10-11-18(23)22(16)15-8-6-14(20)7-9-15/h2-9,16H,10-12H2,1H3,(H,21,24).
What are the key properties of 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110374015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).