4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline

C20H15Br2Cl2NO — CID 126189717

IUPAC4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(NCc2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1
InChIInChI=1S/C20H15Br2Cl2NO/c21-18-9-14(11-25-17-6-4-15(23)5-7-17)10-19(22)20(18)26-12-13-2-1-3-16(24)8-13/h1-10,25H,11-12H2
InChIKeySEYVPQUYKGWLQB-UHFFFAOYSA-N
MW516.06 g/mol
LogP7.71
Rot. Bonds6

About 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline

4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126189717) has the molecular formula C20H15Br2Cl2NO and a molecular weight of 516.06 g/mol. Its IUPAC name is 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126189717
Molecular FormulaC20H15Br2Cl2NO
Molecular Weight516.06 g/mol
Exact Mass512.89
IUPAC Name4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
SMILESClc1ccc(NCc2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1
InChIInChI=1S/C20H15Br2Cl2NO/c21-18-9-14(11-25-17-6-4-15(23)5-7-17)10-19(22)20(18)26-12-13-2-1-3-16(24)8-13/h1-10,25H,11-12H2
InChIKeySEYVPQUYKGWLQB-UHFFFAOYSA-N
XLogP7.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.06
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126118175
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
3-chloro-N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]aniline
CID 3974934
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126128844
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-chloroaniline
CID 5135171
4-bromo-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126212611
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126211661
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-5-chloro-2-methylaniline
CID 126116027
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 5093368
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,3-dimethylaniline
CID 126126981
N-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126116346
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline (CID 126189717) is 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline is Clc1ccc(NCc2cc(Br)c(OCc3cccc(Cl)c3)c(Br)c2)cc1.
What is the InChIKey of 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is SEYVPQUYKGWLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2Cl2NO/c21-18-9-14(11-25-17-6-4-15(23)5-7-17)10-19(22)20(18)26-12-13-2-1-3-16(24)8-13/h1-10,25H,11-12H2.
What are the key properties of 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline?
4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 516.06 g/mol, XLogP of 7.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126189717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).