N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C15H25BrF3NO — CID 106145635

IUPACN-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)(CCCBr)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25BrF3NO/c1-14(2,7-4-8-16)10-20-13(21)11-5-3-6-12(9-11)15(17,18)19/h11-12H,3-10H2,1-2H3,(H,20,21)
InChIKeyXNSLOLDMZKFPAW-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.67
Rot. Bonds6

About N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106145635) has the molecular formula C15H25BrF3NO and a molecular weight of 372.27 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106145635
Molecular FormulaC15H25BrF3NO
Molecular Weight372.27 g/mol
Exact Mass371.11
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)(CCCBr)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25BrF3NO/c1-14(2,7-4-8-16)10-20-13(21)11-5-3-6-12(9-11)15(17,18)19/h11-12H,3-10H2,1-2H3,(H,20,21)
InChIKeyXNSLOLDMZKFPAW-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81368776
N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 114149740
N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
CID 106145377
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222
N-(4-chlorobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106845327
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
N-(1-bromo-4-methylpentan-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106355181
N-(4-bromopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106131544
N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103918890
N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119507185
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106145635) is N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC(C)(CCCBr)CNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is XNSLOLDMZKFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrF3NO/c1-14(2,7-4-8-16)10-20-13(21)11-5-3-6-12(9-11)15(17,18)19/h11-12H,3-10H2,1-2H3,(H,20,21).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 372.27 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106145635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).