3,4,5-trifluoro-N-(1-phenylethyl)benzamide

C15H12F3NO — CID 63188112

IUPAC3,4,5-trifluoro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C15H12F3NO/c1-9(10-5-3-2-4-6-10)19-15(20)11-7-12(16)14(18)13(17)8-11/h2-9H,1H3,(H,19,20)
InChIKeyBNKSVAOKAWRZBE-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.59
Rot. Bonds3

About 3,4,5-trifluoro-N-(1-phenylethyl)benzamide

3,4,5-trifluoro-N-(1-phenylethyl)benzamide (PubChem CID 63188112) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(1-phenylethyl)benzamide
PubChem CID63188112
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name3,4,5-trifluoro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C15H12F3NO/c1-9(10-5-3-2-4-6-10)19-15(20)11-7-12(16)14(18)13(17)8-11/h2-9H,1H3,(H,19,20)
InChIKeyBNKSVAOKAWRZBE-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 151768789
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
CID 2333383
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
N-(2-chloro-1-phenylethyl)-3,4,5-trifluorobenzamide
CID 114300143
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(1-phenylethyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(1-phenylethyl)benzamide (CID 63188112) is 3,4,5-trifluoro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cc(F)c(F)c(F)c1)c1ccccc1.
What is the InChIKey of 3,4,5-trifluoro-N-(1-phenylethyl)benzamide?
The InChIKey is BNKSVAOKAWRZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-9(10-5-3-2-4-6-10)19-15(20)11-7-12(16)14(18)13(17)8-11/h2-9H,1H3,(H,19,20).
What are the key properties of 3,4,5-trifluoro-N-(1-phenylethyl)benzamide?
3,4,5-trifluoro-N-(1-phenylethyl)benzamide has a molecular weight of 279.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 63188112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).