4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline

C15H12ClN3 — CID 135608016

IUPAC4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
SMILESClc1ccc(N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12ClN3/c16-12-5-7-13(8-6-12)19-18-10-11-9-17-15-4-2-1-3-14(11)15/h1-10,17,19H/b18-10+
InChIKeyDUPGXDAWTFRZNM-VCHYOVAHSA-N
MW269.74 g/mol
LogP4.27
Rot. Bonds3

About 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline

4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline (PubChem CID 135608016) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
PubChem CID135608016
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
SMILESClc1ccc(N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12ClN3/c16-12-5-7-13(8-6-12)19-18-10-11-9-17-15-4-2-1-3-14(11)15/h1-10,17,19H/b18-10+
InChIKeyDUPGXDAWTFRZNM-VCHYOVAHSA-N
XLogP4.27
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline (CID 135608016) is 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline is Clc1ccc(N/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline?
The InChIKey is DUPGXDAWTFRZNM-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-12-5-7-13(8-6-12)19-18-10-11-9-17-15-4-2-1-3-14(11)15/h1-10,17,19H/b18-10+.
What are the key properties of 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline?
4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline has a molecular weight of 269.74 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]aniline is sourced from PubChem (CID 135608016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).