2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol

C14H11BrCl2FNO2 — CID 83078315

IUPAC2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2c(Cl)cc(F)cc2Cl)cc(Br)c1O
InChIInChI=1S/C14H11BrCl2FNO2/c1-21-12-3-7(2-9(15)14(12)20)6-19-13-10(16)4-8(18)5-11(13)17/h2-5,19-20H,6H2,1H3
InChIKeyAFJJUQOJRRURFS-UHFFFAOYSA-N
MW395.06 g/mol
LogP5.22
Rot. Bonds4

About 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol

2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol (PubChem CID 83078315) has the molecular formula C14H11BrCl2FNO2 and a molecular weight of 395.06 g/mol. Its IUPAC name is 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
PubChem CID83078315
Molecular FormulaC14H11BrCl2FNO2
Molecular Weight395.06 g/mol
Exact Mass392.93
IUPAC Name2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
SMILESCOc1cc(CNc2c(Cl)cc(F)cc2Cl)cc(Br)c1O
InChIInChI=1S/C14H11BrCl2FNO2/c1-21-12-3-7(2-9(15)14(12)20)6-19-13-10(16)4-8(18)5-11(13)17/h2-5,19-20H,6H2,1H3
InChIKeyAFJJUQOJRRURFS-UHFFFAOYSA-N
XLogP5.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.06
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-chlorobenzonitrile
CID 43686817
2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 83077206
2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
CID 28722263
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
CID 66253798
2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
CID 29292955
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol
CID 107740442
2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
CID 43081085
2-bromo-4-[(4-ethoxyanilino)methyl]-6-methoxyphenol
CID 29041411
2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol (CID 83078315) is 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol is COc1cc(CNc2c(Cl)cc(F)cc2Cl)cc(Br)c1O.
What is the InChIKey of 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol?
The InChIKey is AFJJUQOJRRURFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FNO2/c1-21-12-3-7(2-9(15)14(12)20)6-19-13-10(16)4-8(18)5-11(13)17/h2-5,19-20H,6H2,1H3.
What are the key properties of 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol?
2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol has a molecular weight of 395.06 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 83078315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).