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

C18H13Cl2N3O2 — CID 113191100

IUPACN-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC(=O)N(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C18H13Cl2N3O2/c19-13-5-6-14(20)16(8-13)23-10-12(7-17(23)24)18(25)22-15-4-2-1-3-11(15)9-21/h1-6,8,12H,7,10H2,(H,22,25)
InChIKeyKKAXSOWXSPFCKV-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.86
Rot. Bonds3

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

N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191100) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191100
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC NameN-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC(=O)N(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C18H13Cl2N3O2/c19-13-5-6-14(20)16(8-13)23-10-12(7-17(23)24)18(25)22-15-4-2-1-3-11(15)9-21/h1-6,8,12H,7,10H2,(H,22,25)
InChIKeyKKAXSOWXSPFCKV-UHFFFAOYSA-N
XLogP3.86
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-chloro-4-methylphenyl)-N-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9352106
N-(2-bromophenyl)-1-(2-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191852
(3S)-N-(2-cyanophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393260
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
N-(4-chloro-3-cyanophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55480879
(3R)-1-(2,5-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004637
methyl 4-chloro-3-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189550
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
(3S)-N-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30932440
1-(2,5-dichlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113191086
N-(2-cyanophenyl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188756

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113191100) is N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1ccccc1NC(=O)C1CC(=O)N(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KKAXSOWXSPFCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-13-5-6-14(20)16(8-13)23-10-12(7-17(23)24)18(25)22-15-4-2-1-3-11(15)9-21/h1-6,8,12H,7,10H2,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).