(2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide

C17H12F7NO — CID 143689186

IUPAC(2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide
SMILESO=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H12F7NO/c18-13-7-10(6-12(8-13)16(19,20)21)9-25-15(26)14(17(22,23)24)11-4-2-1-3-5-11/h1-8,14H,9H2,(H,25,26)/t14-/m1/s1
InChIKeyUCOGVBUJAMOHGX-CQSZACIVSA-N
MW379.28 g/mol
LogP4.81
Rot. Bonds4

About (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide

(2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide (PubChem CID 143689186) has the molecular formula C17H12F7NO and a molecular weight of 379.28 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide
PubChem CID143689186
Molecular FormulaC17H12F7NO
Molecular Weight379.28 g/mol
Exact Mass379.08
IUPAC Name(2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide
SMILESO=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H12F7NO/c18-13-7-10(6-12(8-13)16(19,20)21)9-25-15(26)14(17(22,23)24)11-4-2-1-3-5-11/h1-8,14H,9H2,(H,25,26)/t14-/m1/s1
InChIKeyUCOGVBUJAMOHGX-CQSZACIVSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3,3,3-trifluoro-N-[(2R)-2-(5-fluoro-2-pyridinyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-phenylpropanamide
CID 143689138
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 3728140
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454
2-hydroxy-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]acetamide;1,1,1-trifluoroethane
CID 143659050
(2S)-2-phenyl-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]butanamide
CID 141140195
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 11474857
(2S)-2-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoic acid
CID 79016437
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(2-cyclohexylethyl)piperazin-1-yl]-2-phenylacetamide
CID 22086513

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide (CID 143689186) is (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide is O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide?
The InChIKey is UCOGVBUJAMOHGX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H12F7NO/c18-13-7-10(6-12(8-13)16(19,20)21)9-25-15(26)14(17(22,23)24)11-4-2-1-3-5-11/h1-8,14H,9H2,(H,25,26)/t14-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide?
(2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide has a molecular weight of 379.28 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 143689186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).