N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide

C14H15BrF3NO — CID 66606755

IUPACN-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(Cc1cc(C(F)(F)F)ccc1Br)C(=O)C1CC1
InChIInChI=1S/C14H15BrF3NO/c1-2-19(13(20)9-3-4-9)8-10-7-11(14(16,17)18)5-6-12(10)15/h5-7,9H,2-4,8H2,1H3
InChIKeyJAHLOHMFFUVKAY-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.23
Rot. Bonds4

About N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide

N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide (PubChem CID 66606755) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide
PubChem CID66606755
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC NameN-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(Cc1cc(C(F)(F)F)ccc1Br)C(=O)C1CC1
InChIInChI=1S/C14H15BrF3NO/c1-2-19(13(20)9-3-4-9)8-10-7-11(14(16,17)18)5-6-12(10)15/h5-7,9H,2-4,8H2,1H3
InChIKeyJAHLOHMFFUVKAY-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide?
The IUPAC name of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide (CID 66606755) is N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide is CCN(Cc1cc(C(F)(F)F)ccc1Br)C(=O)C1CC1.
What is the InChIKey of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide?
The InChIKey is JAHLOHMFFUVKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c1-2-19(13(20)9-3-4-9)8-10-7-11(14(16,17)18)5-6-12(10)15/h5-7,9H,2-4,8H2,1H3.
What are the key properties of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide?
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide has a molecular weight of 350.18 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-ethylcyclopropanecarboxamide is sourced from PubChem (CID 66606755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).