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

C10H9BrF3NO — CID 3500236

IUPACN-(2-bromoethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCBr)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF3NO/c11-4-5-15-9(16)7-2-1-3-8(6-7)10(12,13)14/h1-3,6H,4-5H2,(H,15,16)
InChIKeyCWHOYUCZUNXYPU-UHFFFAOYSA-N
MW296.09 g/mol
LogP2.83
Rot. Bonds3

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

N-(2-bromoethyl)-3-(trifluoromethyl)benzamide (PubChem CID 3500236) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-(trifluoromethyl)benzamide
PubChem CID3500236
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC NameN-(2-bromoethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCBr)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF3NO/c11-4-5-15-9(16)7-2-1-3-8(6-7)10(12,13)14/h1-3,6H,4-5H2,(H,15,16)
InChIKeyCWHOYUCZUNXYPU-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 52.83
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-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 106157920
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-(4-bromo-2-ethylbutyl)-3-(trifluoromethyl)benzamide
CID 114317719
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-bromoethyl)-3-(trifluoromethyl)benzamide (CID 3500236) is N-(2-bromoethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-bromoethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-bromoethyl)-3-(trifluoromethyl)benzamide is O=C(NCCBr)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-bromoethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is CWHOYUCZUNXYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c11-4-5-15-9(16)7-2-1-3-8(6-7)10(12,13)14/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of N-(2-bromoethyl)-3-(trifluoromethyl)benzamide?
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 296.09 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3500236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).