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

C14H12BrClFNO — CID 29273274

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1cc(F)ccc1Br
InChIInChI=1S/C14H12BrClFNO/c1-19-14-5-2-10(16)7-13(14)18-8-9-6-11(17)3-4-12(9)15/h2-7,18H,8H2,1H3
InChIKeyAJPXGBRREYROMG-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.86
Rot. Bonds4

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

N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline (PubChem CID 29273274) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline
PubChem CID29273274
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCc1cc(F)ccc1Br
InChIInChI=1S/C14H12BrClFNO/c1-19-14-5-2-10(16)7-13(14)18-8-9-6-11(17)3-4-12(9)15/h2-7,18H,8H2,1H3
InChIKeyAJPXGBRREYROMG-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline (CID 29273274) is N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline is COc1ccc(Cl)cc1NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline?
The InChIKey is AJPXGBRREYROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-14-5-2-10(16)7-13(14)18-8-9-6-11(17)3-4-12(9)15/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline?
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline has a molecular weight of 344.61 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-methoxyaniline is sourced from PubChem (CID 29273274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).