N-(benzyldiazenyl)-4-chloroaniline

C13H12ClN3 — CID 131860795

IUPACN-(benzyldiazenyl)-4-chloroaniline
SMILESClc1ccc(N/N=N/Cc2ccccc2)cc1
InChIInChI=1S/C13H12ClN3/c14-12-6-8-13(9-7-12)16-17-15-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
InChIKeyZABVQODDBJNQOX-UHFFFAOYSA-N
MW245.71 g/mol
LogP4.32
Rot. Bonds4

About N-(benzyldiazenyl)-4-chloroaniline

N-(benzyldiazenyl)-4-chloroaniline (PubChem CID 131860795) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(benzyldiazenyl)-4-chloroaniline.

Molecular Properties

Compound NameN-(benzyldiazenyl)-4-chloroaniline
PubChem CID131860795
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC NameN-(benzyldiazenyl)-4-chloroaniline
SMILESClc1ccc(N/N=N/Cc2ccccc2)cc1
InChIInChI=1S/C13H12ClN3/c14-12-6-8-13(9-7-12)16-17-15-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
InChIKeyZABVQODDBJNQOX-UHFFFAOYSA-N
XLogP4.32
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(benzyldiazenyl)ethane-1,2-diamine
CID 18977016
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-benzylguanidine
CID 24835744
N-(2-benzylsulfanylethyldiazenyl)aniline
CID 14447318
N-benzyl-4-chloroaniline chloride
CID 45109713
4-chloro-N-[(E)-2-pyridin-1-ium-1-ylethylideneamino]aniline
CID 14922129
N-[N'-benzyl-N-(4-chlorophenyl)carbamimidoyl]benzamide
CID 139243347
N-[(2-chlorophenyl)diazenyl]aniline
CID 102051457
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
N'-benzyl-3-[2-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]iminohydrazinyl]benzenecarboximidamide
CID 169205703
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-(2-phenylethyl)guanidine
CID 134125827
1-N-benzyl-1-N'-(4-chlorophenyl)ethene-1,1-diamine
CID 142556397
4-chloro-N-(2-phenylpropylideneamino)aniline
CID 84902614

Frequently Asked Questions

What is the IUPAC name of N-(benzyldiazenyl)-4-chloroaniline?
The IUPAC name of N-(benzyldiazenyl)-4-chloroaniline (CID 131860795) is N-(benzyldiazenyl)-4-chloroaniline.
What is the SMILES notation for N-(benzyldiazenyl)-4-chloroaniline?
The canonical SMILES for N-(benzyldiazenyl)-4-chloroaniline is Clc1ccc(N/N=N/Cc2ccccc2)cc1.
What is the InChIKey of N-(benzyldiazenyl)-4-chloroaniline?
The InChIKey is ZABVQODDBJNQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c14-12-6-8-13(9-7-12)16-17-15-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16).
What are the key properties of N-(benzyldiazenyl)-4-chloroaniline?
N-(benzyldiazenyl)-4-chloroaniline has a molecular weight of 245.71 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzyldiazenyl)-4-chloroaniline is sourced from PubChem (CID 131860795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).