3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide

C17H13F6NO — CID 71672026

IUPAC3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide
SMILESCC(C(=O)N(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H13F6NO/c1-15(16(18,19)20,17(21,22)23)14(25)24(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyBHIUHYCHVQEHIX-UHFFFAOYSA-N
MW361.29 g/mol
LogP5.48
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide (PubChem CID 71672026) has the molecular formula C17H13F6NO and a molecular weight of 361.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide
PubChem CID71672026
Molecular FormulaC17H13F6NO
Molecular Weight361.29 g/mol
Exact Mass361.09
IUPAC Name3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide
SMILESCC(C(=O)N(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H13F6NO/c1-15(16(18,19)20,17(21,22)23)14(25)24(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyBHIUHYCHVQEHIX-UHFFFAOYSA-N
XLogP5.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.29
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide
CID 19733750
N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide
CID 172560756
phenyl-[2-(trifluoromethyl)phenyl]carbamic acid
CID 66619011
N-(4,6-dimethylpyrimidin-2-yl)-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91736105
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91710847
[4-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl] 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91724395
cobalt;bis(diphenylcarbamic acid)
CID 155679078
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
N-phenyl-N-(4-prop-1-en-2-ylphenyl)acetamide
CID 177099731
2,2,2-trifluoro-N-oxido-N-phenylacetamide
CID 88752204
2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
CID 118052424

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide (CID 71672026) is 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide is CC(C(=O)N(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide?
The InChIKey is BHIUHYCHVQEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO/c1-15(16(18,19)20,17(21,22)23)14(25)24(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide has a molecular weight of 361.29 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).