N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline

C13H9BrCl3N — CID 66159868

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
SMILESClc1ccc(Br)c(CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9BrCl3N/c14-10-5-4-9(15)6-8(10)7-18-12-3-1-2-11(16)13(12)17/h1-6,18H,7H2
InChIKeySSFWNORRMWFXMZ-UHFFFAOYSA-N
MW365.49 g/mol
LogP6.02
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline

N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline (PubChem CID 66159868) has the molecular formula C13H9BrCl3N and a molecular weight of 365.49 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
PubChem CID66159868
Molecular FormulaC13H9BrCl3N
Molecular Weight365.49 g/mol
Exact Mass362.90
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
SMILESClc1ccc(Br)c(CNc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9BrCl3N/c14-10-5-4-9(15)6-8(10)7-18-12-3-1-2-11(16)13(12)17/h1-6,18H,7H2
InChIKeySSFWNORRMWFXMZ-UHFFFAOYSA-N
XLogP6.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.49
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline
CID 81263519
2,3-dichloro-N-[(3,4-dibromophenyl)methyl]aniline
CID 113483253
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
2-[(2-bromo-5-chlorophenyl)methylamino]benzoic acid
CID 66159480
N-[(2-bromo-5-chlorophenyl)methyl]quinolin-5-amine
CID 66161429
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102853232
2-[(2-bromo-3-chloroanilino)methyl]-4-chlorophenol
CID 103478322
4-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107788034
N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 66158683
N-[(2-bromo-4-nitrophenyl)methyl]-2,3-dichloroaniline
CID 60791051
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline (CID 66159868) is N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline is Clc1ccc(Br)c(CNc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline?
The InChIKey is SSFWNORRMWFXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl3N/c14-10-5-4-9(15)6-8(10)7-18-12-3-1-2-11(16)13(12)17/h1-6,18H,7H2.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline?
N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline has a molecular weight of 365.49 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline is sourced from PubChem (CID 66159868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).