2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide

C13H15F4NO2 — CID 115703490

IUPAC2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
SMILESCCC(O)CCNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H15F4NO2/c1-2-8(19)6-7-18-12(20)9-4-3-5-10(11(9)14)13(15,16)17/h3-5,8,19H,2,6-7H2,1H3,(H,18,20)
InChIKeyDGTVKRKLJFYKAH-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.74
Rot. Bonds5

About 2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide

2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide (PubChem CID 115703490) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
PubChem CID115703490
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
SMILESCCC(O)CCNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H15F4NO2/c1-2-8(19)6-7-18-12(20)9-4-3-5-10(11(9)14)13(15,16)17/h3-5,8,19H,2,6-7H2,1H3,(H,18,20)
InChIKeyDGTVKRKLJFYKAH-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

4-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107832350
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
CID 102685069
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
CID 113342931
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
2-fluoro-N-(2-methylsulfinylpropyl)-3-(trifluoromethyl)benzamide
CID 115764438
N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide (CID 115703490) is 2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide is CCC(O)CCNC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide?
The InChIKey is DGTVKRKLJFYKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-2-8(19)6-7-18-12(20)9-4-3-5-10(11(9)14)13(15,16)17/h3-5,8,19H,2,6-7H2,1H3,(H,18,20).
What are the key properties of 2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-(3-hydroxypentyl)-3-(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-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 115703490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).