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

C14H12Br2FNO — CID 65323673

IUPAC4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1ccc(Br)c(CNc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H12Br2FNO/c1-19-11-3-4-12(16)9(6-11)8-18-14-5-2-10(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyZOUCGGICAJKJSJ-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.97
Rot. Bonds4

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

4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline (PubChem CID 65323673) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
PubChem CID65323673
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1ccc(Br)c(CNc2ccc(Br)cc2F)c1
InChIInChI=1S/C14H12Br2FNO/c1-19-11-3-4-12(16)9(6-11)8-18-14-5-2-10(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyZOUCGGICAJKJSJ-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

4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107610996
N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585589
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
CID 65323536
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
2-[(2,4-dibromoanilino)methyl]-5-methoxyphenol
CID 61263805
N-[(2-bromo-5-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818482
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
N-[(2-bromo-5-methoxyphenyl)methyl]-2-tert-butylaniline
CID 65323655
N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
CID 66160167
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
4-bromo-N-[(3,4-dibromophenyl)methyl]-2-fluoroaniline
CID 113483233

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline (CID 65323673) is 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline is COc1ccc(Br)c(CNc2ccc(Br)cc2F)c1.
What is the InChIKey of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline?
The InChIKey is ZOUCGGICAJKJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-19-11-3-4-12(16)9(6-11)8-18-14-5-2-10(15)7-13(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline?
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline 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-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 65323673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).