2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide

C13H15F4NO2 — CID 111460606

IUPAC2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F4NO2/c1-6(2)9(19)3-4-18-13(20)7-5-8(14)11(16)12(17)10(7)15/h5-6,9,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyZICXXPTVZDIYKQ-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.38
Rot. Bonds5

About 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide

2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide (PubChem CID 111460606) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide
PubChem CID111460606
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Name2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F4NO2/c1-6(2)9(19)3-4-18-13(20)7-5-8(14)11(16)12(17)10(7)15/h5-6,9,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyZICXXPTVZDIYKQ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83058281
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide
CID 139198554
2-methyl-4-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 80538589
2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461022
tert-butyl N-[3-[(2,3,4,5-tetrafluorobenzoyl)amino]propyl]carbamate
CID 130257081
2-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]pentanoic acid
CID 65218696
1-(3-hydroxy-4-methylpentyl)-3-(2,3,4-trifluorophenyl)urea
CID 111472896
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
N-(3-hydroxy-4-methylpentyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111461175
2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide
CID 111460652

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide (CID 111460606) is 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide is CC(C)C(O)CCNC(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide?
The InChIKey is ZICXXPTVZDIYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-6(2)9(19)3-4-18-13(20)7-5-8(14)11(16)12(17)10(7)15/h5-6,9,19H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide?
2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide has a molecular weight of 293.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 111460606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).