N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C12H11ClF2N2O2 — CID 146124256

IUPACN-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2c(F)cc(F)cc2Cl)CC1=O
InChIInChI=1S/C12H11ClF2N2O2/c1-17-5-6(2-10(17)18)12(19)16-11-8(13)3-7(14)4-9(11)15/h3-4,6H,2,5H2,1H3,(H,16,19)
InChIKeyKRVRRUOHLIMNRY-UHFFFAOYSA-N
MW288.68 g/mol
LogP2.04
Rot. Bonds2

About N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 146124256) has the molecular formula C12H11ClF2N2O2 and a molecular weight of 288.68 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID146124256
Molecular FormulaC12H11ClF2N2O2
Molecular Weight288.68 g/mol
Exact Mass288.05
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)Nc2c(F)cc(F)cc2Cl)CC1=O
InChIInChI=1S/C12H11ClF2N2O2/c1-17-5-6(2-10(17)18)12(19)16-11-8(13)3-7(14)4-9(11)15/h3-4,6H,2,5H2,1H3,(H,16,19)
InChIKeyKRVRRUOHLIMNRY-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7357016
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106740543
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777
N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125472
N-(2-chloro-4,6-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187357
N-(4-fluoro-3-nitrophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125696
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
(3S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95163305
N-(2-chloro-4,6-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 114424428
1-methyl-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71897000
1-(2,4-dichlorophenyl)-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191025
N-(2-chloro-4,6-dimethylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183465

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 146124256) is N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)Nc2c(F)cc(F)cc2Cl)CC1=O.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KRVRRUOHLIMNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O2/c1-17-5-6(2-10(17)18)12(19)16-11-8(13)3-7(14)4-9(11)15/h3-4,6H,2,5H2,1H3,(H,16,19).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.68 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 146124256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).