4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide

C15H14F6N2O2 — CID 166280382

IUPAC4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide
SMILESN#Cc1ccc(CCCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H14F6N2O2/c16-14(17,18)13(25,15(19,20)21)9-23-12(24)3-1-2-10-4-6-11(8-22)7-5-10/h4-7,25H,1-3,9H2,(H,23,24)
InChIKeyDQPRYMXWCUHWHF-UHFFFAOYSA-N
MW368.28 g/mol
LogP2.85
Rot. Bonds6

About 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide

4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide (PubChem CID 166280382) has the molecular formula C15H14F6N2O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide
PubChem CID166280382
Molecular FormulaC15H14F6N2O2
Molecular Weight368.28 g/mol
Exact Mass368.10
IUPAC Name4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide
SMILESN#Cc1ccc(CCCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H14F6N2O2/c16-14(17,18)13(25,15(19,20)21)9-23-12(24)3-1-2-10-4-6-11(8-22)7-5-10/h4-7,25H,1-3,9H2,(H,23,24)
InChIKeyDQPRYMXWCUHWHF-UHFFFAOYSA-N
XLogP2.85
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86916563
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
N-[3-(4-cyanophenyl)propyl]-3,3-dihydroxypropanamide
CID 154724556
N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide
CID 111463301
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829
4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile
CID 83927436
3-(4-cyanophenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458653
4-(4-cyanophenyl)-2-hydroxy-2-methylbutanoic acid
CID 126728507
7-[4-(4-cyanophenyl)phenyl]-N-[2-[7-[4-(4-cyanophenyl)phenyl]heptanoylamino]cyclohexyl]heptanamide
CID 20670437
N-[2-[3-(4-cyanophenyl)propanoylamino]ethyl]-2-methylpropanamide
CID 33121519
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide?
The IUPAC name of 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide (CID 166280382) is 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide is N#Cc1ccc(CCCC(=O)NCC(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide?
The InChIKey is DQPRYMXWCUHWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N2O2/c16-14(17,18)13(25,15(19,20)21)9-23-12(24)3-1-2-10-4-6-11(8-22)7-5-10/h4-7,25H,1-3,9H2,(H,23,24).
What are the key properties of 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide?
4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide has a molecular weight of 368.28 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]butanamide is sourced from PubChem (CID 166280382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).