N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

C15H20F3NO2 — CID 109479313

IUPACN-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCC(CCO)NC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-2-13(9-10-20)19-14(21)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7,13,20H,2,5,8-10H2,1H3,(H,19,21)
InChIKeyDHSYKTBRBBCTOD-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.92
Rot. Bonds7

About N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 109479313) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID109479313
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCC(CCO)NC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-2-13(9-10-20)19-14(21)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7,13,20H,2,5,8-10H2,1H3,(H,19,21)
InChIKeyDHSYKTBRBBCTOD-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920079
2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide
CID 115767171
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
3-[4-(hydroxymethyl)phenyl]-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 167893759
methyl 3-[3-(4-tert-butylphenyl)propanoylamino]pentanoate
CID 112533178
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 110890023
N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
CID 109479134
3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane
CID 143571262
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 109479313) is N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide is CCC(CCO)NC(=O)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DHSYKTBRBBCTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-13(9-10-20)19-14(21)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7,13,20H,2,5,8-10H2,1H3,(H,19,21).
What are the key properties of N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 303.32 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109479313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).