1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C19H18ClN3O3 — CID 55870262

IUPAC1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClN3O3/c1-21-19(26)15-4-2-3-5-16(15)22-18(25)12-10-17(24)23(11-12)14-8-6-13(20)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)
InChIKeyCJZHUCDHEYWCJD-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55870262) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55870262
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H18ClN3O3/c1-21-19(26)15-4-2-3-5-16(15)22-18(25)12-10-17(24)23(11-12)14-8-6-13(20)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25)
InChIKeyCJZHUCDHEYWCJD-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35544399
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819
1-(3-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46436702
N-[2-[benzyl(methyl)carbamoyl]phenyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082255
(3S)-1-(4-chlorophenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1077272
1-(4-acetamidophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120224
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40977882
(3R)-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084233
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55870262) is 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CJZHUCDHEYWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-21-19(26)15-4-2-3-5-16(15)22-18(25)12-10-17(24)23(11-12)14-8-6-13(20)7-9-14/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55870262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).