N-(4-acetylphenyl)-3,3,3-trifluoropropanamide

C11H10F3NO2 — CID 24695395

IUPACN-(4-acetylphenyl)-3,3,3-trifluoropropanamide
SMILESCC(=O)c1ccc(NC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c1-7(16)8-2-4-9(5-3-8)15-10(17)6-11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyNUFZWYRTYYPQGA-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.78
Rot. Bonds3

About N-(4-acetylphenyl)-3,3,3-trifluoropropanamide

N-(4-acetylphenyl)-3,3,3-trifluoropropanamide (PubChem CID 24695395) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3,3,3-trifluoropropanamide
PubChem CID24695395
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC NameN-(4-acetylphenyl)-3,3,3-trifluoropropanamide
SMILESCC(=O)c1ccc(NC(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO2/c1-7(16)8-2-4-9(5-3-8)15-10(17)6-11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyNUFZWYRTYYPQGA-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
CID 47063386
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065
2-(4-acetylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2621495
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
CID 60731315
2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442578
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-acetylphenyl)-3,3,3-trifluoropropanamide (CID 24695395) is N-(4-acetylphenyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3,3,3-trifluoropropanamide is CC(=O)c1ccc(NC(=O)CC(F)(F)F)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3,3,3-trifluoropropanamide?
The InChIKey is NUFZWYRTYYPQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7(16)8-2-4-9(5-3-8)15-10(17)6-11(12,13)14/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of N-(4-acetylphenyl)-3,3,3-trifluoropropanamide?
N-(4-acetylphenyl)-3,3,3-trifluoropropanamide has a molecular weight of 245.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 24695395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).