N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline

C14H12BrCl2NO — CID 66160167

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C14H12BrCl2NO/c1-19-11-3-5-13(17)14(7-11)18-8-9-6-10(16)2-4-12(9)15/h2-7,18H,8H2,1H3
InChIKeyOCWHGBROZMTYDM-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.38
Rot. Bonds4

About N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline

N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline (PubChem CID 66160167) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
PubChem CID66160167
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2cc(Cl)ccc2Br)c1
InChIInChI=1S/C14H12BrCl2NO/c1-19-11-3-5-13(17)14(7-11)18-8-9-6-10(16)2-4-12(9)15/h2-7,18H,8H2,1H3
InChIKeyOCWHGBROZMTYDM-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
CID 65323536
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-5-methoxyaniline
CID 55033030
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107610996
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102853232
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585589

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline (CID 66160167) is N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline is COc1ccc(Cl)c(NCc2cc(Cl)ccc2Br)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline?
The InChIKey is OCWHGBROZMTYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-19-11-3-5-13(17)14(7-11)18-8-9-6-10(16)2-4-12(9)15/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline?
N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline has a molecular weight of 361.07 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline is sourced from PubChem (CID 66160167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).