2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C16H13F4NO — CID 42955470

IUPAC2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO/c1-10(11-6-8-12(9-7-11)16(18,19)20)21-15(22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,21,22)
InChIKeyHUUBIDVAQQLIFS-UHFFFAOYSA-N
MW311.28 g/mol
LogP4.34
Rot. Bonds3

About 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide

2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 42955470) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID42955470
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO/c1-10(11-6-8-12(9-7-11)16(18,19)20)21-15(22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,21,22)
InChIKeyHUUBIDVAQQLIFS-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354874
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551
2-fluoro-3-nitro-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 176877638
3-methyl-2-nitro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46597776
2-fluoro-N-[(1S)-1-[4-methyl-5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 41291142
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 42955470) is 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is CC(NC(=O)c1ccccc1F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is HUUBIDVAQQLIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c1-10(11-6-8-12(9-7-11)16(18,19)20)21-15(22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,21,22).
What are the key properties of 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 311.28 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 42955470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).