2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline

C13H9BrCl3N — CID 81263519

IUPAC2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline
SMILESClc1ccc(Br)c(NCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9BrCl3N/c14-10-5-4-9(15)6-12(10)18-7-8-2-1-3-11(16)13(8)17/h1-6,18H,7H2
InChIKeyQGJHBICWXRBWOX-UHFFFAOYSA-N
MW365.49 g/mol
LogP6.02
Rot. Bonds3

About 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline

2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline (PubChem CID 81263519) has the molecular formula C13H9BrCl3N and a molecular weight of 365.49 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline
PubChem CID81263519
Molecular FormulaC13H9BrCl3N
Molecular Weight365.49 g/mol
Exact Mass362.90
IUPAC Name2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline
SMILESClc1ccc(Br)c(NCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H9BrCl3N/c14-10-5-4-9(15)6-12(10)18-7-8-2-1-3-11(16)13(8)17/h1-6,18H,7H2
InChIKeyQGJHBICWXRBWOX-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

N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 66159868
2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline
CID 103412160
N-[2-[(2-bromo-5-chloroanilino)methyl]phenyl]acetamide
CID 81264520
2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43432251
2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
CID 107633361
2-bromo-5-chloro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 81263289
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995
4-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107788034
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
2-bromo-5-chloro-N-[(5-chloro-2-nitrophenyl)methyl]aniline
CID 81280840

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline?
The IUPAC name of 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline (CID 81263519) is 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline is Clc1ccc(Br)c(NCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline?
The InChIKey is QGJHBICWXRBWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl3N/c14-10-5-4-9(15)6-12(10)18-7-8-2-1-3-11(16)13(8)17/h1-6,18H,7H2.
What are the key properties of 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline?
2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline 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 2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 81263519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).