2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide

C13H16F3NO2 — CID 111460515

IUPAC2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H16F3NO2/c1-7(2)11(18)3-4-17-13(19)12-9(15)5-8(14)6-10(12)16/h5-7,11,18H,3-4H2,1-2H3,(H,17,19)
InChIKeyHZRGVCWNUUMIIU-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.24
Rot. Bonds5

About 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide

2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide (PubChem CID 111460515) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
PubChem CID111460515
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H16F3NO2/c1-7(2)11(18)3-4-17-13(19)12-9(15)5-8(14)6-10(12)16/h5-7,11,18H,3-4H2,1-2H3,(H,17,19)
InChIKeyHZRGVCWNUUMIIU-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460606
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
2,4,6-trifluoro-N-(5-iodopentyl)benzamide
CID 107322261
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 71690349
N-(6-bromohexyl)-2,4,6-trifluorobenzamide
CID 107847891
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
2,4,6-trifluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 65100571

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide (CID 111460515) is 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide is CC(C)C(O)CCNC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide?
The InChIKey is HZRGVCWNUUMIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-7(2)11(18)3-4-17-13(19)12-9(15)5-8(14)6-10(12)16/h5-7,11,18H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide?
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 111460515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).