N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide

C11H10ClF2NO2 — CID 103516192

IUPACN-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide
SMILESO=C(NC(C(=O)CCl)c1ccccc1)C(F)F
InChIInChI=1S/C11H10ClF2NO2/c12-6-8(16)9(15-11(17)10(13)14)7-4-2-1-3-5-7/h1-5,9-10H,6H2,(H,15,17)
InChIKeyWGTHFZBCWMBZHA-UHFFFAOYSA-N
MW261.66 g/mol
LogP1.92
Rot. Bonds5

About N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide

N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide (PubChem CID 103516192) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.66 g/mol. Its IUPAC name is N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide
PubChem CID103516192
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.66 g/mol
Exact Mass261.04
IUPAC NameN-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide
SMILESO=C(NC(C(=O)CCl)c1ccccc1)C(F)F
InChIInChI=1S/C11H10ClF2NO2/c12-6-8(16)9(15-11(17)10(13)14)7-4-2-1-3-5-7/h1-5,9-10H,6H2,(H,15,17)
InChIKeyWGTHFZBCWMBZHA-UHFFFAOYSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[[carboxy(phenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498245
N-(3-bromo-2-oxo-1-phenylpropyl)-2,2,2-trifluoroacetamide
CID 104700780
N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxo-1-phenylethyl]-2,2-diphenylacetamide
CID 45370794
(3S)-3-amino-4-[[carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 139799489
2-[[(2S)-2-(deuterioamino)propanoyl]amino]-2-phenylacetic acid
CID 142690110
2,2-difluoro-N-(2-phenylsulfanylethyl)acetamide
CID 103603525
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
3-chloro-2-oxo-1-phenylpropane-1-sulfinic acid
CID 57023511
(2S)-2,4-dichloro-3-oxo-N-phenylbutanamide
CID 98058305
methyl (2R)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-2-phenylacetate
CID 10660316
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetic acid
CID 103871039

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide?
The IUPAC name of N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide (CID 103516192) is N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide is O=C(NC(C(=O)CCl)c1ccccc1)C(F)F.
What is the InChIKey of N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide?
The InChIKey is WGTHFZBCWMBZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-6-8(16)9(15-11(17)10(13)14)7-4-2-1-3-5-7/h1-5,9-10H,6H2,(H,15,17).
What are the key properties of N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide?
N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide has a molecular weight of 261.66 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-oxo-1-phenylpropyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103516192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).