N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide

C15H17BrF3NO — CID 106367297

IUPACN-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1CBr)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17BrF3NO/c16-9-11-3-1-2-4-13(11)20-14(21)10-5-7-12(8-6-10)15(17,18)19/h5-8,11,13H,1-4,9H2,(H,20,21)
InChIKeyNHMNWLWHUBCTEK-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.39
Rot. Bonds3

About N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide

N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide (PubChem CID 106367297) has the molecular formula C15H17BrF3NO and a molecular weight of 364.21 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
PubChem CID106367297
Molecular FormulaC15H17BrF3NO
Molecular Weight364.21 g/mol
Exact Mass363.04
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCCC1CBr)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17BrF3NO/c16-9-11-3-1-2-4-13(11)20-14(21)10-5-7-12(8-6-10)15(17,18)19/h5-8,11,13H,1-4,9H2,(H,20,21)
InChIKeyNHMNWLWHUBCTEK-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.39
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

N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103860508

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide (CID 106367297) is N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide is O=C(NC1CCCCC1CBr)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide?
The InChIKey is NHMNWLWHUBCTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF3NO/c16-9-11-3-1-2-4-13(11)20-14(21)10-5-7-12(8-6-10)15(17,18)19/h5-8,11,13H,1-4,9H2,(H,20,21).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide?
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide has a molecular weight of 364.21 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 106367297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).