2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline

C13H10Br2ClN — CID 43432251

IUPAC2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
SMILESClc1ccccc1CNc1cc(Br)ccc1Br
InChIInChI=1S/C13H10Br2ClN/c14-10-5-6-11(15)13(7-10)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8H2
InChIKeyWPCXRWXUUXPJDQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.48
Rot. Bonds3

About 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline

2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline (PubChem CID 43432251) has the molecular formula C13H10Br2ClN and a molecular weight of 375.49 g/mol. Its IUPAC name is 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
PubChem CID43432251
Molecular FormulaC13H10Br2ClN
Molecular Weight375.49 g/mol
Exact Mass372.89
IUPAC Name2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
SMILESClc1ccccc1CNc1cc(Br)ccc1Br
InChIInChI=1S/C13H10Br2ClN/c14-10-5-6-11(15)13(7-10)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8H2
InChIKeyWPCXRWXUUXPJDQ-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923
2-bromo-N-[(2-chlorophenyl)methyl]-5-fluoroaniline
CID 107633361
5-bromo-N-[(2-chlorophenyl)methyl]-2-methylaniline
CID 43729443
2-bromo-5-chloro-N-[(2-chlorophenyl)methyl]-4-methylaniline
CID 104722481
3-chloro-2-[(2,5-dibromoanilino)methyl]phenol
CID 113276502
2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63446574
2-bromo-5-chloro-N-[(2,3-dichlorophenyl)methyl]aniline
CID 81263519
2-bromo-6-[(5-bromo-2-chloroanilino)methyl]phenol
CID 63477386
2-chloro-6-[(2,4-dibromoanilino)methyl]phenol
CID 112606455
3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
CID 12611962
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
CID 126184009
2-[(5-bromo-2-chloroanilino)methyl]benzoic acid
CID 103249817

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline?
The IUPAC name of 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline (CID 43432251) is 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline is Clc1ccccc1CNc1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline?
The InChIKey is WPCXRWXUUXPJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClN/c14-10-5-6-11(15)13(7-10)17-8-9-3-1-2-4-12(9)16/h1-7,17H,8H2.
What are the key properties of 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline?
2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline has a molecular weight of 375.49 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline is sourced from PubChem (CID 43432251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).