3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline

C14H11BrCl2FNO — CID 43234743

IUPAC3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1c(F)cccc1Cl
InChIInChI=1S/C14H11BrCl2FNO/c1-20-14-10(15)5-8(16)6-13(14)19-7-9-11(17)3-2-4-12(9)18/h2-6,19H,7H2,1H3
InChIKeyFNOMWVKYBWGQPS-UHFFFAOYSA-N
MW379.06 g/mol
LogP5.52
Rot. Bonds4

About 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline

3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline (PubChem CID 43234743) has the molecular formula C14H11BrCl2FNO and a molecular weight of 379.06 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline
PubChem CID43234743
Molecular FormulaC14H11BrCl2FNO
Molecular Weight379.06 g/mol
Exact Mass376.94
IUPAC Name3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1c(F)cccc1Cl
InChIInChI=1S/C14H11BrCl2FNO/c1-20-14-10(15)5-8(16)6-13(14)19-7-9-11(17)3-2-4-12(9)18/h2-6,19H,7H2,1H3
InChIKeyFNOMWVKYBWGQPS-UHFFFAOYSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.06
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline (CID 43234743) is 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline is COc1c(Br)cc(Cl)cc1NCc1c(F)cccc1Cl.
What is the InChIKey of 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline?
The InChIKey is FNOMWVKYBWGQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FNO/c1-20-14-10(15)5-8(16)6-13(14)19-7-9-11(17)3-2-4-12(9)18/h2-6,19H,7H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline?
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline has a molecular weight of 379.06 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 43234743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).