N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide

C18H17F3N2O2 — CID 109040680

IUPACN-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-12(24)13-5-4-6-14(11-13)23-17(25)9-10-22-16-8-3-2-7-15(16)18(19,20)21/h2-8,11,22H,9-10H2,1H3,(H,23,25)
InChIKeyFEFRXHXUDRTFNJ-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.35
Rot. Bonds6

About N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide

N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide (PubChem CID 109040680) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
PubChem CID109040680
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-12(24)13-5-4-6-14(11-13)23-17(25)9-10-22-16-8-3-2-7-15(16)18(19,20)21/h2-8,11,22H,9-10H2,1H3,(H,23,25)
InChIKeyFEFRXHXUDRTFNJ-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040694
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626
3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109036212
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
(2S)-N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 9286593
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586
3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
CID 109040980
3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
N-(3-acetamidophenyl)-3-(2-methylanilino)propanamide
CID 51149887
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide (CID 109040680) is N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide is CC(=O)c1cccc(NC(=O)CCNc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
The InChIKey is FEFRXHXUDRTFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12(24)13-5-4-6-14(11-13)23-17(25)9-10-22-16-8-3-2-7-15(16)18(19,20)21/h2-8,11,22H,9-10H2,1H3,(H,23,25).
What are the key properties of N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide?
N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide has a molecular weight of 350.34 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109040680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).