1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C17H14Cl2N2O2 — CID 113191372

IUPAC1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-7-4-8-14(16(13)19)21-10-11(9-15(21)22)17(23)20-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,23)
InChIKeyAHIMGYGEGNPTEL-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.98
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 113191372) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID113191372
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-7-4-8-14(16(13)19)21-10-11(9-15(21)22)17(23)20-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,23)
InChIKeyAHIMGYGEGNPTEL-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056533
(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529079
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191387
(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
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
1-(2,3-dichlorophenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191381
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191409
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
1-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916579

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 113191372) is 1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccccc1)C1CC(=O)N(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is AHIMGYGEGNPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-13-7-4-8-14(16(13)19)21-10-11(9-15(21)22)17(23)20-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,20,23).
What are the key properties of 1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 349.22 g/mol, XLogP of 3.98, 3 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-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113191372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).