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

C17H14Cl2N2O2 — CID 110427657

IUPACN-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C17H14Cl2N2O2/c18-11-8-12(19)10-13(9-11)20-17(23)15-6-7-16(22)21(15)14-4-2-1-3-5-14/h1-5,8-10,15H,6-7H2,(H,20,23)
InChIKeyXHTPKLCIHIGQPX-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.13
Rot. Bonds3

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

N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110427657) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110427657
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC NameN-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C17H14Cl2N2O2/c18-11-8-12(19)10-13(9-11)20-17(23)15-6-7-16(22)21(15)14-4-2-1-3-5-14/h1-5,8-10,15H,6-7H2,(H,20,23)
InChIKeyXHTPKLCIHIGQPX-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110614171
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110424566
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 110374080
(2S)-N-(3,5-dichlorophenyl)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 6575602
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
N-(4-fluorophenyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110420365

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110427657) is N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C1CCC(=O)N1c1ccccc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is XHTPKLCIHIGQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-11-8-12(19)10-13(9-11)20-17(23)15-6-7-16(22)21(15)14-4-2-1-3-5-14/h1-5,8-10,15H,6-7H2,(H,20,23).
What are the key properties of N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 349.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110427657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).