N-(benzhydrylideneamino)-2-chloroaniline

C19H15ClN2 — CID 11515058

IUPACN-(benzhydrylideneamino)-2-chloroaniline
SMILESClc1ccccc1NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15ClN2/c20-17-13-7-8-14-18(17)21-22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,21H
InChIKeyXTKJTDIDZHIHRP-UHFFFAOYSA-N
MW306.80 g/mol
LogP5.20
Rot. Bonds4

About N-(benzhydrylideneamino)-2-chloroaniline

N-(benzhydrylideneamino)-2-chloroaniline (PubChem CID 11515058) has the molecular formula C19H15ClN2 and a molecular weight of 306.80 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-chloroaniline.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-chloroaniline
PubChem CID11515058
Molecular FormulaC19H15ClN2
Molecular Weight306.80 g/mol
Exact Mass306.09
IUPAC NameN-(benzhydrylideneamino)-2-chloroaniline
SMILESClc1ccccc1NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H15ClN2/c20-17-13-7-8-14-18(17)21-22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,21H
InChIKeyXTKJTDIDZHIHRP-UHFFFAOYSA-N
XLogP5.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.80
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(benzhydrylideneamino)-2-chloroaniline with MolForge

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

Launch Full Analysis

Related Compounds

N'-(2-chloroanilino)benzenecarboximidamide
CID 134068294
(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
CID 87583449
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
N'-(2-chloroanilino)-4-fluorobenzenecarboximidamide
CID 67958780
N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride
CID 85434851
2-chloro-N-[(E)-1-nitroethylideneamino]aniline
CID 170698173
N-[[(4-methylphenyl)-phenylmethylidene]amino]aniline
CID 78146288
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
N'-(2-chloroanilino)-N,N-diethylethanimidamide
CID 25018588
2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 16555887
N-(benzhydrylideneamino)-2-chloropyridin-4-amine
CID 126742562
N-[(E)-[(4-bromophenyl)-phenylmethylidene]amino]-2,3-dimethylaniline;hydrochloride
CID 146061297

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-chloroaniline?
The IUPAC name of N-(benzhydrylideneamino)-2-chloroaniline (CID 11515058) is N-(benzhydrylideneamino)-2-chloroaniline.
What is the SMILES notation for N-(benzhydrylideneamino)-2-chloroaniline?
The canonical SMILES for N-(benzhydrylideneamino)-2-chloroaniline is Clc1ccccc1NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-chloroaniline?
The InChIKey is XTKJTDIDZHIHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2/c20-17-13-7-8-14-18(17)21-22-19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,21H.
What are the key properties of N-(benzhydrylideneamino)-2-chloroaniline?
N-(benzhydrylideneamino)-2-chloroaniline has a molecular weight of 306.80 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-chloroaniline is sourced from PubChem (CID 11515058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).