1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

C12H10ClN3O2 — CID 168697513

IUPAC1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cccc(Cl)c1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H10ClN3O2/c13-9-3-1-2-7(5-14)11(9)16-6-8(12(15)18)4-10(16)17/h1-3,8H,4,6H2,(H2,15,18)
InChIKeyCCGVKNRXJYYKCD-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.05
Rot. Bonds2

About 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697513) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697513
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1cccc(Cl)c1N1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H10ClN3O2/c13-9-3-1-2-7(5-14)11(9)16-6-8(12(15)18)4-10(16)17/h1-3,8H,4,6H2,(H2,15,18)
InChIKeyCCGVKNRXJYYKCD-UHFFFAOYSA-N
XLogP1.05
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzonitrile
CID 168709631
1-[2-chloro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697516
[1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673870
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
[1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676738
1-(2-chloro-6-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691617
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
(3S)-1-(4-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076113
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-iodobenzoic acid
CID 168697535
methyl 4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-cyanobenzoate
CID 168696400

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168697513) is 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is N#Cc1cccc(Cl)c1N1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CCGVKNRXJYYKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-9-3-1-2-7(5-14)11(9)16-6-8(12(15)18)4-10(16)17/h1-3,8H,4,6H2,(H2,15,18).
What are the key properties of 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 263.68 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).