N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide

C12H10ClFN2O3 — CID 139526277

IUPACN-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide
SMILESCC1C(=O)NC(=O)C1C(=O)Nc1cccc(F)c1Cl
InChIInChI=1S/C12H10ClFN2O3/c1-5-8(12(19)16-10(5)17)11(18)15-7-4-2-3-6(14)9(7)13/h2-5,8H,1H3,(H,15,18)(H,16,17,19)
InChIKeyXQKBPFSYZIMACK-UHFFFAOYSA-N
MW284.67 g/mol
LogP1.33
Rot. Bonds2

About N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide

N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide (PubChem CID 139526277) has the molecular formula C12H10ClFN2O3 and a molecular weight of 284.67 g/mol. Its IUPAC name is N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide
PubChem CID139526277
Molecular FormulaC12H10ClFN2O3
Molecular Weight284.67 g/mol
Exact Mass284.04
IUPAC NameN-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide
SMILESCC1C(=O)NC(=O)C1C(=O)Nc1cccc(F)c1Cl
InChIInChI=1S/C12H10ClFN2O3/c1-5-8(12(19)16-10(5)17)11(18)15-7-4-2-3-6(14)9(7)13/h2-5,8H,1H3,(H,15,18)(H,16,17,19)
InChIKeyXQKBPFSYZIMACK-UHFFFAOYSA-N
XLogP1.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
CID 164656809
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
trans-(1R,2R)-1-N,2-N-bis(2-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 828858
N-(2,3-dichlorophenyl)-1-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 134147879
dimethyl (E)-2-(2-chloro-3-fluoroanilino)but-2-enedioate
CID 168569472
(3R,4S)-N-(3-fluoro-2-methylphenyl)-4-(3-fluoro-5-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134412184
3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
CID 172768302
1-amino-3-(2-chloro-3-fluorophenyl)thiourea
CID 51000226
(3S,4S)-N-(2,3-difluorophenyl)-4-[(4-fluorophenyl)methyl]-2-oxopiperidine-3-carboxamide
CID 155163703
(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
(2-chloro-3-fluorophenyl)hydrazine
CID 55280948
(2-chloro-3-fluoroanilino)sulfanium
CID 163531717

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide (CID 139526277) is N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide is CC1C(=O)NC(=O)C1C(=O)Nc1cccc(F)c1Cl.
What is the InChIKey of N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is XQKBPFSYZIMACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3/c1-5-8(12(19)16-10(5)17)11(18)15-7-4-2-3-6(14)9(7)13/h2-5,8H,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide?
N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 284.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 139526277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).