4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline

C15H14Cl3N3 — CID 89326976

IUPAC4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline
SMILESCC/C(=N\Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H14Cl3N3/c1-2-15(13-8-9(16)3-4-14(13)19)21-20-12-6-10(17)5-11(18)7-12/h3-8,20H,2,19H2,1H3/b21-15+
InChIKeyNWCSQYWYIANMSH-RCCKNPSSSA-N
MW342.66 g/mol
LogP5.46
Rot. Bonds4

About 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline

4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline (PubChem CID 89326976) has the molecular formula C15H14Cl3N3 and a molecular weight of 342.66 g/mol. Its IUPAC name is 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline
PubChem CID89326976
Molecular FormulaC15H14Cl3N3
Molecular Weight342.66 g/mol
Exact Mass341.03
IUPAC Name4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline
SMILESCC/C(=N\Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1N
InChIInChI=1S/C15H14Cl3N3/c1-2-15(13-8-9(16)3-4-14(13)19)21-20-12-6-10(17)5-11(18)7-12/h3-8,20H,2,19H2,1H3/b21-15+
InChIKeyNWCSQYWYIANMSH-RCCKNPSSSA-N
XLogP5.46
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.66
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline 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

2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
CID 58987816
4-chloro-2-[(E)-N-(2,4-dichloroanilino)-C-ethylcarbonimidoyl]-N-methylaniline
CID 58987717
4-chloro-N-[(E)-1-pyridin-4-ylpropylideneamino]aniline
CID 10220810
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
2-[(2-amino-5-chlorobenzoyl)amino]butanoic acid
CID 174472101
2-amino-5-chloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843254
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline?
The IUPAC name of 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline (CID 89326976) is 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline.
What is the SMILES notation for 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline?
The canonical SMILES for 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline is CC/C(=N\Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline?
The InChIKey is NWCSQYWYIANMSH-RCCKNPSSSA-N. The full InChI is InChI=1S/C15H14Cl3N3/c1-2-15(13-8-9(16)3-4-14(13)19)21-20-12-6-10(17)5-11(18)7-12/h3-8,20H,2,19H2,1H3/b21-15+.
What are the key properties of 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline?
4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline has a molecular weight of 342.66 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-N-(3,5-dichloroanilino)-C-ethylcarbonimidoyl]aniline is sourced from PubChem (CID 89326976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).