1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C20H20Cl2N2O2 — CID 113191387

IUPAC1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1
InChIInChI=1S/C20H20Cl2N2O2/c1-12(2)13-6-8-15(9-7-13)23-20(26)14-10-18(25)24(11-14)17-5-3-4-16(21)19(17)22/h3-9,12,14H,10-11H2,1-2H3,(H,23,26)
InChIKeyAVJPAUZCNDXQLV-UHFFFAOYSA-N
MW391.30 g/mol
LogP5.11
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113191387) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113191387
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1
InChIInChI=1S/C20H20Cl2N2O2/c1-12(2)13-6-8-15(9-7-13)23-20(26)14-10-18(25)24(11-14)17-5-3-4-16(21)19(17)22/h3-9,12,14H,10-11H2,1-2H3,(H,23,26)
InChIKeyAVJPAUZCNDXQLV-UHFFFAOYSA-N
XLogP5.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191288
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529079
4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056533
(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529112
(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529134
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
1-(2,3-dichlorophenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191381
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
(3R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529126
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113191387) is 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(NC(=O)C2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is AVJPAUZCNDXQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-12(2)13-6-8-15(9-7-13)23-20(26)14-10-18(25)24(11-14)17-5-3-4-16(21)19(17)22/h3-9,12,14H,10-11H2,1-2H3,(H,23,26).
What are the key properties of 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113191387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).