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

C18H13Cl2N3O2 — CID 113191969

IUPAC1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cccc(N2CC(C(=O)Nc3c(Cl)cccc3Cl)CC2=O)c1
InChIInChI=1S/C18H13Cl2N3O2/c19-14-5-2-6-15(20)17(14)22-18(25)12-8-16(24)23(10-12)13-4-1-3-11(7-13)9-21/h1-7,12H,8,10H2,(H,22,25)
InChIKeyBZZNLHDZVVRSIF-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.86
Rot. Bonds3

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

1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191969) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191969
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cccc(N2CC(C(=O)Nc3c(Cl)cccc3Cl)CC2=O)c1
InChIInChI=1S/C18H13Cl2N3O2/c19-14-5-2-6-15(20)17(14)22-18(25)12-8-16(24)23(10-12)13-4-1-3-11(7-13)9-21/h1-7,12H,8,10H2,(H,22,25)
InChIKeyBZZNLHDZVVRSIF-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

N-(4-bromophenyl)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191931
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276
1-(3-cyanophenyl)-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191935
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
(3R)-N-(3-cyanophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245456
(3S)-N-(4-cyanophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892565
1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166541380
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192015
1-(2-chloro-4,6-dimethylphenyl)-N-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187973
1-(3-chlorophenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 17322003
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
methyl 3-[4-[(4-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189370

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113191969) is 1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1cccc(N2CC(C(=O)Nc3c(Cl)cccc3Cl)CC2=O)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BZZNLHDZVVRSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-14-5-2-6-15(20)17(14)22-18(25)12-8-16(24)23(10-12)13-4-1-3-11(7-13)9-21/h1-7,12H,8,10H2,(H,22,25).
What are the key properties of 1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-cyanophenyl)-N-(2,6-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 1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).