N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide

C14H17BrF3NO — CID 106157920

IUPACN-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
SMILESCC(CBr)CCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17BrF3NO/c1-10(9-15)4-3-7-19-13(20)11-5-2-6-12(8-11)14(16,17)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,19,20)
InChIKeyDIDAEQXEEREZBT-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.25
Rot. Bonds6

About N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide

N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide (PubChem CID 106157920) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
PubChem CID106157920
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC NameN-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
SMILESCC(CBr)CCCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17BrF3NO/c1-10(9-15)4-3-7-19-13(20)11-5-2-6-12(8-11)14(16,17)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,19,20)
InChIKeyDIDAEQXEEREZBT-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-(5-bromo-4-methylpentyl)-3-cyanobenzamide
CID 106157456
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
N-(5-bromopentan-2-yl)-3-(trifluoromethyl)benzamide
CID 114316538
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-[(2R)-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 8912081
N-(4-bromo-2-ethylbutyl)-3-(trifluoromethyl)benzamide
CID 114317719
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide (CID 106157920) is N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide is CC(CBr)CCCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide?
The InChIKey is DIDAEQXEEREZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-10(9-15)4-3-7-19-13(20)11-5-2-6-12(8-11)14(16,17)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,19,20).
What are the key properties of N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide?
N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide has a molecular weight of 352.19 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 106157920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).