2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline

C15H12BrClFN — CID 170702573

IUPAC2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline
SMILESC=C(c1cc(F)ccc1Cl)c1cccc(Br)c1NC
InChIInChI=1S/C15H12BrClFN/c1-9(12-8-10(18)6-7-14(12)17)11-4-3-5-13(16)15(11)19-2/h3-8,19H,1H2,2H3
InChIKeyHJAKCYCMAJRQRC-UHFFFAOYSA-N
MW340.62 g/mol
LogP5.34
Rot. Bonds3

About 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline

2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline (PubChem CID 170702573) has the molecular formula C15H12BrClFN and a molecular weight of 340.62 g/mol. Its IUPAC name is 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline
PubChem CID170702573
Molecular FormulaC15H12BrClFN
Molecular Weight340.62 g/mol
Exact Mass338.98
IUPAC Name2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline
SMILESC=C(c1cc(F)ccc1Cl)c1cccc(Br)c1NC
InChIInChI=1S/C15H12BrClFN/c1-9(12-8-10(18)6-7-14(12)17)11-4-3-5-13(16)15(11)19-2/h3-8,19H,1H2,2H3
InChIKeyHJAKCYCMAJRQRC-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline?
The IUPAC name of 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline (CID 170702573) is 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline.
What is the SMILES notation for 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline?
The canonical SMILES for 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline is C=C(c1cc(F)ccc1Cl)c1cccc(Br)c1NC.
What is the InChIKey of 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline?
The InChIKey is HJAKCYCMAJRQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN/c1-9(12-8-10(18)6-7-14(12)17)11-4-3-5-13(16)15(11)19-2/h3-8,19H,1H2,2H3.
What are the key properties of 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline?
2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline has a molecular weight of 340.62 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline is sourced from PubChem (CID 170702573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).