2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide

C14H15BrF3NO — CID 103816659

IUPAC2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
SMILESCCC1(CNC(=O)c2cc(C(F)(F)F)ccc2Br)CC1
InChIInChI=1S/C14H15BrF3NO/c1-2-13(5-6-13)8-19-12(20)10-7-9(14(16,17)18)3-4-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyARXVXLQUNFXEPZ-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.39
Rot. Bonds4

About 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide

2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide (PubChem CID 103816659) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
PubChem CID103816659
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC Name2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
SMILESCCC1(CNC(=O)c2cc(C(F)(F)F)ccc2Br)CC1
InChIInChI=1S/C14H15BrF3NO/c1-2-13(5-6-13)8-19-12(20)10-7-9(14(16,17)18)3-4-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyARXVXLQUNFXEPZ-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-5-(trifluoromethyl)benzamide
CID 115455978
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-iodobenzamide
CID 114125614
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 115456406
2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
CID 103461931
2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide
CID 83142426
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
CID 103766411
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114750942
methyl 2-bromo-3-[[2-bromo-5-(trifluoromethyl)benzoyl]amino]propanoate
CID 103492494
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925064
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
CID 103741352

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide (CID 103816659) is 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide is CCC1(CNC(=O)c2cc(C(F)(F)F)ccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is ARXVXLQUNFXEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c1-2-13(5-6-13)8-19-12(20)10-7-9(14(16,17)18)3-4-11(10)15/h3-4,7H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide?
2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 350.18 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 103816659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).