2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline

C14H11Br2Cl2NO — CID 103412160

IUPAC2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline
SMILESCOc1cc(NCc2cccc(Cl)c2Cl)c(Br)cc1Br
InChIInChI=1S/C14H11Br2Cl2NO/c1-20-13-6-12(9(15)5-10(13)16)19-7-8-3-2-4-11(17)14(8)18/h2-6,19H,7H2,1H3
InChIKeyLKTRORJLDAFFLB-UHFFFAOYSA-N
MW439.96 g/mol
LogP6.14
Rot. Bonds4

About 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline

2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline (PubChem CID 103412160) has the molecular formula C14H11Br2Cl2NO and a molecular weight of 439.96 g/mol. Its IUPAC name is 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline
PubChem CID103412160
Molecular FormulaC14H11Br2Cl2NO
Molecular Weight439.96 g/mol
Exact Mass436.86
IUPAC Name2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline
SMILESCOc1cc(NCc2cccc(Cl)c2Cl)c(Br)cc1Br
InChIInChI=1S/C14H11Br2Cl2NO/c1-20-13-6-12(9(15)5-10(13)16)19-7-8-3-2-4-11(17)14(8)18/h2-6,19H,7H2,1H3
InChIKeyLKTRORJLDAFFLB-UHFFFAOYSA-N
XLogP6.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.96
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 103412284
4-chloro-2-[(2,4-dibromo-5-methoxyanilino)methyl]phenol
CID 103411754
2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline
CID 81263519
2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
CID 103413096
4-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 104848307
2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline
CID 103413131
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
CID 103412830
N-(1-benzothiophen-3-ylmethyl)-2,4-dibromo-5-methoxyaniline
CID 103411269
4-chloro-N-[(3-chloro-2-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 114487194
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
2-chloro-6-(2,4-dibromo-5-methoxyanilino)benzenecarbothioamide
CID 103414359
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline?
The IUPAC name of 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline (CID 103412160) is 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline.
What is the SMILES notation for 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline?
The canonical SMILES for 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline is COc1cc(NCc2cccc(Cl)c2Cl)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline?
The InChIKey is LKTRORJLDAFFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl2NO/c1-20-13-6-12(9(15)5-10(13)16)19-7-8-3-2-4-11(17)14(8)18/h2-6,19H,7H2,1H3.
What are the key properties of 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline?
2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline has a molecular weight of 439.96 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline is sourced from PubChem (CID 103412160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).