2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline

C14H10Br3ClFNO — CID 107610436

IUPAC2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
SMILESCOc1c(Br)cc(Br)cc1CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H10Br3ClFNO/c1-21-14-7(2-8(15)3-11(14)17)6-20-13-10(16)4-9(19)5-12(13)18/h2-5,20H,6H2,1H3
InChIKeyDGIQPJLBZZOMLV-UHFFFAOYSA-N
MW502.40 g/mol
LogP6.39
Rot. Bonds4

About 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline

2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline (PubChem CID 107610436) has the molecular formula C14H10Br3ClFNO and a molecular weight of 502.40 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
PubChem CID107610436
Molecular FormulaC14H10Br3ClFNO
Molecular Weight502.40 g/mol
Exact Mass498.80
IUPAC Name2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
SMILESCOc1c(Br)cc(Br)cc1CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H10Br3ClFNO/c1-21-14-7(2-8(15)3-11(14)17)6-20-13-10(16)4-9(19)5-12(13)18/h2-5,20H,6H2,1H3
InChIKeyDGIQPJLBZZOMLV-UHFFFAOYSA-N
XLogP6.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.40
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
2-bromo-6-chloro-4-fluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107610737
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 43763039
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
CID 43772623
2-bromo-6-chloro-4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107610276
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 63452417
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764382
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43775873

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline (CID 107610436) is 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline is COc1c(Br)cc(Br)cc1CNc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline?
The InChIKey is DGIQPJLBZZOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3ClFNO/c1-21-14-7(2-8(15)3-11(14)17)6-20-13-10(16)4-9(19)5-12(13)18/h2-5,20H,6H2,1H3.
What are the key properties of 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline?
2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline has a molecular weight of 502.40 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 107610436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).