N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide

C14H15BrF3NO — CID 102873211

IUPACN-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(CCBr)C1CCC1
InChIInChI=1S/C14H15BrF3NO/c15-7-8-19(12-5-2-6-12)13(20)10-3-1-4-11(9-10)14(16,17)18/h1,3-4,9,12H,2,5-8H2
InChIKeyURMKIYITWRHCHY-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.09
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide

N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide (PubChem CID 102873211) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide
PubChem CID102873211
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(CCBr)C1CCC1
InChIInChI=1S/C14H15BrF3NO/c15-7-8-19(12-5-2-6-12)13(20)10-3-1-4-11(9-10)14(16,17)18/h1,3-4,9,12H,2,5-8H2
InChIKeyURMKIYITWRHCHY-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 80656410
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzamide
CID 107491591
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
N-(3-bromopropyl)-N-ethyl-3-(trifluoromethyl)benzamide
CID 113469197
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
CID 38363519
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)benzamide
CID 18573610
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-(trifluoromethyl)benzamide
CID 3986831
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide (CID 102873211) is N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide is O=C(c1cccc(C(F)(F)F)c1)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide?
The InChIKey is URMKIYITWRHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c15-7-8-19(12-5-2-6-12)13(20)10-3-1-4-11(9-10)14(16,17)18/h1,3-4,9,12H,2,5-8H2.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide?
N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide has a molecular weight of 350.18 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 102873211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).