5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline

C14H11Br3FNO — CID 43777556

IUPAC5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1c(Br)cc(CNc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C14H11Br3FNO/c1-20-14-10(16)4-8(5-11(14)17)7-19-13-6-9(15)2-3-12(13)18/h2-6,19H,7H2,1H3
InChIKeyAUWMBMBJNRLRNS-UHFFFAOYSA-N
MW467.96 g/mol
LogP5.73
Rot. Bonds4

About 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline

5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline (PubChem CID 43777556) has the molecular formula C14H11Br3FNO and a molecular weight of 467.96 g/mol. Its IUPAC name is 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
PubChem CID43777556
Molecular FormulaC14H11Br3FNO
Molecular Weight467.96 g/mol
Exact Mass464.84
IUPAC Name5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1c(Br)cc(CNc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C14H11Br3FNO/c1-20-14-10(16)4-8(5-11(14)17)7-19-13-6-9(15)2-3-12(13)18/h2-6,19H,7H2,1H3
InChIKeyAUWMBMBJNRLRNS-UHFFFAOYSA-N
XLogP5.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43775987
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772765
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845
2,4-dibromo-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]aniline
CID 43683217
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,3-difluoroaniline
CID 61075731
5-bromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-fluoroaniline
CID 43777548
2-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43775017
5-bromo-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-fluoroaniline
CID 43555204
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785217
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
3,5-dichloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-fluoroaniline
CID 107572617

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline (CID 43777556) is 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline is COc1c(Br)cc(CNc2cc(Br)ccc2F)cc1Br.
What is the InChIKey of 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline?
The InChIKey is AUWMBMBJNRLRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3FNO/c1-20-14-10(16)4-8(5-11(14)17)7-19-13-6-9(15)2-3-12(13)18/h2-6,19H,7H2,1H3.
What are the key properties of 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline?
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline has a molecular weight of 467.96 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 43777556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).