N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H17BrF3NO — CID 115583720

IUPACN-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1Br)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17BrF3NO/c16-13-8-4-1-5-10(13)9-20-14(21)11-6-2-3-7-12(11)15(17,18)19/h1,4-5,8,11-12H,2-3,6-7,9H2,(H,20,21)
InChIKeyKLPLEFLJGWYJQY-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.43
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115583720) has the molecular formula C15H17BrF3NO and a molecular weight of 364.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115583720
Molecular FormulaC15H17BrF3NO
Molecular Weight364.21 g/mol
Exact Mass363.04
IUPAC NameN-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1Br)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H17BrF3NO/c16-13-8-4-1-5-10(13)9-20-14(21)11-6-2-3-7-12(11)15(17,18)19/h1,4-5,8,11-12H,2-3,6-7,9H2,(H,20,21)
InChIKeyKLPLEFLJGWYJQY-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115598109
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 75415388
N-[2-(chloromethyl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622765
2-[(2-bromophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817497
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
2-phenyl-3-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 119254618
cis-(1S,2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94035247
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622502
N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115736893
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115583720) is N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCc1ccccc1Br)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is KLPLEFLJGWYJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF3NO/c16-13-8-4-1-5-10(13)9-20-14(21)11-6-2-3-7-12(11)15(17,18)19/h1,4-5,8,11-12H,2-3,6-7,9H2,(H,20,21).
What are the key properties of N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 364.21 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115583720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).