4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide

C13H15F4NO2 — CID 107300108

IUPAC4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
SMILESCC(O)CCCNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO2/c1-8(19)3-2-6-18-12(20)9-4-5-11(14)10(7-9)13(15,16)17/h4-5,7-8,19H,2-3,6H2,1H3,(H,18,20)
InChIKeyBLGPQGPHMIBZMW-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.74
Rot. Bonds5

About 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide (PubChem CID 107300108) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
PubChem CID107300108
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
SMILESCC(O)CCCNC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO2/c1-8(19)3-2-6-18-12(20)9-4-5-11(14)10(7-9)13(15,16)17/h4-5,7-8,19H,2-3,6H2,1H3,(H,18,20)
InChIKeyBLGPQGPHMIBZMW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
4-fluoro-N-(2-hydroxy-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 103771258
4-amino-N-(4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 63004218
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-2-hydroxypropanoic acid
CID 66165014
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
N-(3-aminopropyl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 118973559
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
CID 62045877
4-fluoro-N-(1-iodo-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 107859911

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide (CID 107300108) is 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide is CC(O)CCCNC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide?
The InChIKey is BLGPQGPHMIBZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-8(19)3-2-6-18-12(20)9-4-5-11(14)10(7-9)13(15,16)17/h4-5,7-8,19H,2-3,6H2,1H3,(H,18,20).
What are the key properties of 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(4-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 4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 107300108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).