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

C14H12Br2FNO — CID 107633175

IUPAC2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
SMILESCOc1ccc(Br)cc1CNc1cc(F)ccc1Br
InChIInChI=1S/C14H12Br2FNO/c1-19-14-5-2-10(15)6-9(14)8-18-13-7-11(17)3-4-12(13)16/h2-7,18H,8H2,1H3
InChIKeyACNFHRXRVFJYBK-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.97
Rot. Bonds4

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

2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline (PubChem CID 107633175) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
PubChem CID107633175
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
SMILESCOc1ccc(Br)cc1CNc1cc(F)ccc1Br
InChIInChI=1S/C14H12Br2FNO/c1-19-14-5-2-10(15)6-9(14)8-18-13-7-11(17)3-4-12(13)16/h2-7,18H,8H2,1H3
InChIKeyACNFHRXRVFJYBK-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

2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]-5-fluoroaniline
CID 107632583
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dichloroaniline
CID 107787860
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115124144
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
CID 107633247
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N-[(5-bromo-2-methoxyphenyl)methyl]-2,4,5-trichloroaniline
CID 43324015
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline?
The IUPAC name of 2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline (CID 107633175) is 2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline is COc1ccc(Br)cc1CNc1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline?
The InChIKey is ACNFHRXRVFJYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-19-14-5-2-10(15)6-9(14)8-18-13-7-11(17)3-4-12(13)16/h2-7,18H,8H2,1H3.
What are the key properties of 2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline?
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-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 2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline is sourced from PubChem (CID 107633175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).