1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H12Cl2F2N2O2 — CID 113191409

IUPAC1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H12Cl2F2N2O2/c18-10-3-1-6-13(15(10)19)23-8-9(7-14(23)24)17(25)22-16-11(20)4-2-5-12(16)21/h1-6,9H,7-8H2,(H,22,25)
InChIKeyAUYBSLKMJDOQKH-UHFFFAOYSA-N
MW385.20 g/mol
LogP4.26
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191409) has the molecular formula C17H12Cl2F2N2O2 and a molecular weight of 385.20 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191409
Molecular FormulaC17H12Cl2F2N2O2
Molecular Weight385.20 g/mol
Exact Mass384.02
IUPAC Name1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H12Cl2F2N2O2/c18-10-3-1-6-13(15(10)19)23-8-9(7-14(23)24)17(25)22-16-11(20)4-2-5-12(16)21/h1-6,9H,7-8H2,(H,22,25)
InChIKeyAUYBSLKMJDOQKH-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191381
(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-phenylpyrrolidine-3-carboxamide
CID 113191372
(3R)-N-cyclopropyl-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40978163
(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529134
4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056533
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190625
1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191387
1-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916579
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
(3R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529126

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113191409) is 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1c(F)cccc1F)C1CC(=O)N(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AUYBSLKMJDOQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N2O2/c18-10-3-1-6-13(15(10)19)23-8-9(7-14(23)24)17(25)22-16-11(20)4-2-5-12(16)21/h1-6,9H,7-8H2,(H,22,25).
What are the key properties of 1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.20 g/mol, XLogP of 4.26, 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)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).