N-benzyl-2-bromo-3-chloroaniline

C13H11BrClN — CID 103477865

IUPACN-benzyl-2-bromo-3-chloroaniline
SMILESClc1cccc(NCc2ccccc2)c1Br
InChIInChI=1S/C13H11BrClN/c14-13-11(15)7-4-8-12(13)16-9-10-5-2-1-3-6-10/h1-8,16H,9H2
InChIKeyDXYJNLQERQHDBG-UHFFFAOYSA-N
MW296.60 g/mol
LogP4.71
Rot. Bonds3

About N-benzyl-2-bromo-3-chloroaniline

N-benzyl-2-bromo-3-chloroaniline (PubChem CID 103477865) has the molecular formula C13H11BrClN and a molecular weight of 296.60 g/mol. Its IUPAC name is N-benzyl-2-bromo-3-chloroaniline.

Molecular Properties

Compound NameN-benzyl-2-bromo-3-chloroaniline
PubChem CID103477865
Molecular FormulaC13H11BrClN
Molecular Weight296.60 g/mol
Exact Mass294.98
IUPAC NameN-benzyl-2-bromo-3-chloroaniline
SMILESClc1cccc(NCc2ccccc2)c1Br
InChIInChI=1S/C13H11BrClN/c14-13-11(15)7-4-8-12(13)16-9-10-5-2-1-3-6-10/h1-8,16H,9H2
InChIKeyDXYJNLQERQHDBG-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.60
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-bromo-3-chloroanilino)methyl]benzoic acid
CID 103478689
2-bromo-3-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]aniline
CID 103478270
2-bromo-3-chloro-N-[(4-nitrophenyl)methyl]aniline
CID 103478097
2-[4-[(2-bromo-3-chloroanilino)methyl]phenyl]propanoic acid
CID 103480482
2-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-3-chloroaniline
CID 103478325
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
2-[3-[(2-bromo-3-chloroanilino)methyl]phenoxy]acetonitrile
CID 103478348
2-bromo-3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)aniline
CID 103477918
2-bromo-3-chloro-N-[(4-chloro-3-nitrophenyl)methyl]aniline
CID 103478945
N-benzyl-3-chloro-2-morpholin-4-ylaniline
CID 91674334
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-3-chloroaniline?
The IUPAC name of N-benzyl-2-bromo-3-chloroaniline (CID 103477865) is N-benzyl-2-bromo-3-chloroaniline.
What is the SMILES notation for N-benzyl-2-bromo-3-chloroaniline?
The canonical SMILES for N-benzyl-2-bromo-3-chloroaniline is Clc1cccc(NCc2ccccc2)c1Br.
What is the InChIKey of N-benzyl-2-bromo-3-chloroaniline?
The InChIKey is DXYJNLQERQHDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN/c14-13-11(15)7-4-8-12(13)16-9-10-5-2-1-3-6-10/h1-8,16H,9H2.
What are the key properties of N-benzyl-2-bromo-3-chloroaniline?
N-benzyl-2-bromo-3-chloroaniline has a molecular weight of 296.60 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-3-chloroaniline is sourced from PubChem (CID 103477865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).