3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide

C16H19F6NO — CID 54008226

IUPAC3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide
SMILESCC(C)CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H19F6NO/c1-11(2)7-6-10-23(12-8-4-3-5-9-12)14(24)13(15(17,18)19)16(20,21)22/h3-5,8-9,11,13H,6-7,10H2,1-2H3
InChIKeyKQKQYYPFGCVTCZ-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.20
Rot. Bonds6

About 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide (PubChem CID 54008226) has the molecular formula C16H19F6NO and a molecular weight of 355.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide
PubChem CID54008226
Molecular FormulaC16H19F6NO
Molecular Weight355.32 g/mol
Exact Mass355.14
IUPAC Name3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide
SMILESCC(C)CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H19F6NO/c1-11(2)7-6-10-23(12-8-4-3-5-9-12)14(24)13(15(17,18)19)16(20,21)22/h3-5,8-9,11,13H,6-7,10H2,1-2H3
InChIKeyKQKQYYPFGCVTCZ-UHFFFAOYSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethene;3,3,3-trifluoro-N-(2-methylpropyl)-N-phenyl-2-(trifluoromethyl)propanamide
CID 90927173
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
2-[N-(4-methylpentyl)anilino]acetic acid
CID 83158703
ethyl N-(6-methylheptyl)-N-phenylcarbamate
CID 163979854
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
[(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2,2,2-trifluoroacetate
CID 99799797
N-(2-methylpropyl)-N-phenylcarbamoyl chloride
CID 20551108
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045
4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
CID 104517075
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide (CID 54008226) is 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide is CC(C)CCCN(C(=O)C(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide?
The InChIKey is KQKQYYPFGCVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F6NO/c1-11(2)7-6-10-23(12-8-4-3-5-9-12)14(24)13(15(17,18)19)16(20,21)22/h3-5,8-9,11,13H,6-7,10H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide has a molecular weight of 355.32 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-methylpentyl)-N-phenyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 54008226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).