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

C14H12Br2FNO — CID 82858279

IUPAC4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2cc(Br)ccc2F)ccc1Br
InChIInChI=1S/C14H12Br2FNO/c1-19-14-7-11(3-4-12(14)16)18-8-9-6-10(15)2-5-13(9)17/h2-7,18H,8H2,1H3
InChIKeyPYCNDVHOGGLOMU-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.97
Rot. Bonds4

About 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline

4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline (PubChem CID 82858279) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
PubChem CID82858279
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2cc(Br)ccc2F)ccc1Br
InChIInChI=1S/C14H12Br2FNO/c1-19-14-7-11(3-4-12(14)16)18-8-9-6-10(15)2-5-13(9)17/h2-7,18H,8H2,1H3
InChIKeyPYCNDVHOGGLOMU-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-3-methoxyaniline
CID 114842580
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 82868186
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide
CID 43705314
N-[(4-bromo-2-nitrophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114838325
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
4-[(4-bromo-3-methoxyanilino)methyl]benzene-1,2,3-triol
CID 103952983
N-[(3,4-dibromophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114838318

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline?
The IUPAC name of 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline (CID 82858279) is 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline is COc1cc(NCc2cc(Br)ccc2F)ccc1Br.
What is the InChIKey of 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline?
The InChIKey is PYCNDVHOGGLOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-19-14-7-11(3-4-12(14)16)18-8-9-6-10(15)2-5-13(9)17/h2-7,18H,8H2,1H3.
What are the key properties of 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline?
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline has a molecular weight of 389.06 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 82858279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).