N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide

C10H8ClF2NO2 — CID 102107601

IUPACN-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide
SMILESCC(=O)C(F)(F)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H8ClF2NO2/c1-6(15)10(12,13)9(16)14-8-5-3-2-4-7(8)11/h2-5H,1H3,(H,14,16)
InChIKeyJJLQTBJLRCAZTI-UHFFFAOYSA-N
MW247.63 g/mol
LogP2.50
Rot. Bonds3

About N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide

N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide (PubChem CID 102107601) has the molecular formula C10H8ClF2NO2 and a molecular weight of 247.63 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide
PubChem CID102107601
Molecular FormulaC10H8ClF2NO2
Molecular Weight247.63 g/mol
Exact Mass247.02
IUPAC NameN-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide
SMILESCC(=O)C(F)(F)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C10H8ClF2NO2/c1-6(15)10(12,13)9(16)14-8-5-3-2-4-7(8)11/h2-5H,1H3,(H,14,16)
InChIKeyJJLQTBJLRCAZTI-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
CID 102107595
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835426
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
2,2-dichloro-N-(2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide
CID 3277317
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856
N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
CID 732169
N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968853

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide (CID 102107601) is N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide is CC(=O)C(F)(F)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide?
The InChIKey is JJLQTBJLRCAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO2/c1-6(15)10(12,13)9(16)14-8-5-3-2-4-7(8)11/h2-5H,1H3,(H,14,16).
What are the key properties of N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide?
N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide has a molecular weight of 247.63 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide is sourced from PubChem (CID 102107601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).