N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide

C10H9F3N2O2 — CID 113220904

IUPACN-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
SMILESCC(=O)Nc1cc(NC(=O)C(F)F)ccc1F
InChIInChI=1S/C10H9F3N2O2/c1-5(16)14-8-4-6(2-3-7(8)11)15-10(17)9(12)13/h2-4,9H,1H3,(H,14,16)(H,15,17)
InChIKeyHPRKYLJCZOPUJC-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.99
Rot. Bonds3

About N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide

N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide (PubChem CID 113220904) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
PubChem CID113220904
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
SMILESCC(=O)Nc1cc(NC(=O)C(F)F)ccc1F
InChIInChI=1S/C10H9F3N2O2/c1-5(16)14-8-4-6(2-3-7(8)11)15-10(17)9(12)13/h2-4,9H,1H3,(H,14,16)(H,15,17)
InChIKeyHPRKYLJCZOPUJC-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2-bromo-3-methylbutanamide
CID 43347135
(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 94033104
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
CID 119702845
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
(2R)-N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 103928590
N-(5-acetamido-2-fluorophenyl)-2-amino-3,3-dimethylbutanamide
CID 76893268
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-(3-acetamido-4-fluorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62845784
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide (CID 113220904) is N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide is CC(=O)Nc1cc(NC(=O)C(F)F)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide?
The InChIKey is HPRKYLJCZOPUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-5(16)14-8-4-6(2-3-7(8)11)15-10(17)9(12)13/h2-4,9H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide?
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide has a molecular weight of 246.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 113220904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).