2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide

C13H15F4NO2 — CID 115767171

IUPAC2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide
SMILESCCC(CCO)NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H15F4NO2/c1-2-9(5-6-19)18-12(20)10-7-8(13(15,16)17)3-4-11(10)14/h3-4,7,9,19H,2,5-6H2,1H3,(H,18,20)
InChIKeyLOLPSGFPLSNGRX-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.74
Rot. Bonds5

About 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide (PubChem CID 115767171) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide
PubChem CID115767171
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide
SMILESCCC(CCO)NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H15F4NO2/c1-2-9(5-6-19)18-12(20)10-7-8(13(15,16)17)3-4-11(10)14/h3-4,7,9,19H,2,5-6H2,1H3,(H,18,20)
InChIKeyLOLPSGFPLSNGRX-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-methylsulfanylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 115900410
(2S)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-hydroxybutanoic acid
CID 107821699
2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide
CID 109478990
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 106183145
N-(4-ethylsulfanylbutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697220
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
2-fluoro-N-(1-iodo-3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 107859943
2,4,5-trifluoro-3-hydroxy-N-(1-hydroxypentan-3-yl)benzamide
CID 104580624
(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid
CID 119363874
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-1-one
CID 18795518

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide (CID 115767171) is 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide is CCC(CCO)NC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is LOLPSGFPLSNGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-2-9(5-6-19)18-12(20)10-7-8(13(15,16)17)3-4-11(10)14/h3-4,7,9,19H,2,5-6H2,1H3,(H,18,20).
What are the key properties of 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 293.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-hydroxypentan-3-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 115767171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).