2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C17H16F3NO — CID 102432449

IUPAC2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-12(14-5-3-2-4-6-14)16(22)21-11-13-7-9-15(10-8-13)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeySYDHVTJRZCQISQ-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.13
Rot. Bonds4

About 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 102432449) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID102432449
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-12(14-5-3-2-4-6-14)16(22)21-11-13-7-9-15(10-8-13)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeySYDHVTJRZCQISQ-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-phenyl-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
CID 68967185
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
3-amino-2-methyl-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880982
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 56538727
2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 143478506
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 102432449) is 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is SYDHVTJRZCQISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12(14-5-3-2-4-6-14)16(22)21-11-13-7-9-15(10-8-13)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 307.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 102432449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).