N-[(E)-benzylideneamino]-N-chloroaniline

C13H11ClN2 — CID 15025946

IUPACN-[(E)-benzylideneamino]-N-chloroaniline
SMILESClN(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11ClN2/c14-16(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-11H/b15-11+
InChIKeyKOVWNJBNJGQXAR-RVDMUPIBSA-N
MW230.70 g/mol
LogP3.68
Rot. Bonds3

About N-[(E)-benzylideneamino]-N-chloroaniline

N-[(E)-benzylideneamino]-N-chloroaniline (PubChem CID 15025946) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-N-chloroaniline.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-N-chloroaniline
PubChem CID15025946
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC NameN-[(E)-benzylideneamino]-N-chloroaniline
SMILESClN(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11ClN2/c14-16(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-11H/b15-11+
InChIKeyKOVWNJBNJGQXAR-RVDMUPIBSA-N
XLogP3.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-N-chloroaniline?
The IUPAC name of N-[(E)-benzylideneamino]-N-chloroaniline (CID 15025946) is N-[(E)-benzylideneamino]-N-chloroaniline.
What is the SMILES notation for N-[(E)-benzylideneamino]-N-chloroaniline?
The canonical SMILES for N-[(E)-benzylideneamino]-N-chloroaniline is ClN(/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-N-chloroaniline?
The InChIKey is KOVWNJBNJGQXAR-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-16(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-11H/b15-11+.
What are the key properties of N-[(E)-benzylideneamino]-N-chloroaniline?
N-[(E)-benzylideneamino]-N-chloroaniline has a molecular weight of 230.70 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-N-chloroaniline is sourced from PubChem (CID 15025946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).