N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide

C15H20F3NO2 — CID 71787595

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
SMILESCC(C)(C)C(O)CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-14(2,3)12(20)8-9-19-13(21)10-4-6-11(7-5-10)15(16,17)18/h4-7,12,20H,8-9H2,1-3H3,(H,19,21)
InChIKeyJLLJNXBJQVRHEK-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.23
Rot. Bonds4

About N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide

N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide (PubChem CID 71787595) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
PubChem CID71787595
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
SMILESCC(C)(C)C(O)CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-14(2,3)12(20)8-9-19-13(21)10-4-6-11(7-5-10)15(16,17)18/h4-7,12,20H,8-9H2,1-3H3,(H,19,21)
InChIKeyJLLJNXBJQVRHEK-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
CID 95740949
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599
2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 71690349
3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523428
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 90523388
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 95741014
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546186

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide (CID 71787595) is N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide is CC(C)(C)C(O)CCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide?
The InChIKey is JLLJNXBJQVRHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-14(2,3)12(20)8-9-19-13(21)10-4-6-11(7-5-10)15(16,17)18/h4-7,12,20H,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide?
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide has a molecular weight of 303.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 71787595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).