N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide

C16H13F2NO3 — CID 20716397

IUPACN-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide
SMILESCC(=O)c1ccc(NC(=O)C(F)(F)Oc2ccccc2)cc1
InChIInChI=1S/C16H13F2NO3/c1-11(20)12-7-9-13(10-8-12)19-15(21)16(17,18)22-14-5-3-2-4-6-14/h2-10H,1H3,(H,19,21)
InChIKeyDUDHYRPHESCUFV-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.50
Rot. Bonds5

About N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide

N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide (PubChem CID 20716397) has the molecular formula C16H13F2NO3 and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide
PubChem CID20716397
Molecular FormulaC16H13F2NO3
Molecular Weight305.28 g/mol
Exact Mass305.09
IUPAC NameN-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide
SMILESCC(=O)c1ccc(NC(=O)C(F)(F)Oc2ccccc2)cc1
InChIInChI=1S/C16H13F2NO3/c1-11(20)12-7-9-13(10-8-12)19-15(21)16(17,18)22-14-5-3-2-4-6-14/h2-10H,1H3,(H,19,21)
InChIKeyDUDHYRPHESCUFV-UHFFFAOYSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-hydroxy-2,2-diphenylacetamide
CID 12522226
2,2-difluoro-2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3712977
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
N-(4-acetylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748500
N-(4-acetylphenyl)-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3667444
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858
1-(4-acetylphenyl)-3-(phenoxymethyl)urea
CID 108888840
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide
CID 87444403
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
CID 70262105
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide?
The IUPAC name of N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide (CID 20716397) is N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide is CC(=O)c1ccc(NC(=O)C(F)(F)Oc2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide?
The InChIKey is DUDHYRPHESCUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO3/c1-11(20)12-7-9-13(10-8-12)19-15(21)16(17,18)22-14-5-3-2-4-6-14/h2-10H,1H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide?
N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide has a molecular weight of 305.28 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide is sourced from PubChem (CID 20716397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).