3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide

C15H21F2NO2 — CID 109380870

IUPAC3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2NO2/c1-9(2)13(19)15(3,4)8-18-14(20)10-5-11(16)7-12(17)6-10/h5-7,9,13,19H,8H2,1-4H3,(H,18,20)
InChIKeyXBOAGQLYZKADFE-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.74
Rot. Bonds5

About 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide

3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide (PubChem CID 109380870) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
PubChem CID109380870
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H21F2NO2/c1-9(2)13(19)15(3,4)8-18-14(20)10-5-11(16)7-12(17)6-10/h5-7,9,13,19H,8H2,1-4H3,(H,18,20)
InChIKeyXBOAGQLYZKADFE-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 ≤ 500285.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172560
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide
CID 109380589
N-(2,3-dihydroxy-2-methylpropyl)-3,5-difluorobenzamide
CID 66170625
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methylsulfanylbenzamide
CID 109380612
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide
CID 109380784
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide
CID 109380782
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide
CID 109379514
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
CID 109381094

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The IUPAC name of 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide (CID 109380870) is 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide is CC(C)C(O)C(C)(C)CNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
The InChIKey is XBOAGQLYZKADFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-9(2)13(19)15(3,4)8-18-14(20)10-5-11(16)7-12(17)6-10/h5-7,9,13,19H,8H2,1-4H3,(H,18,20).
What are the key properties of 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide?
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide has a molecular weight of 285.33 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 3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide is sourced from PubChem (CID 109380870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).