3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline

C15H14Cl3N3 — CID 91183805

IUPAC3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3N3/c1-9(12-7-10(16)3-6-15(12)19-2)20-21-11-4-5-13(17)14(18)8-11/h3-8,19,21H,1-2H3/b20-9-
InChIKeyAGXIBAOHSMVNEK-UKWGHVSLSA-N
MW342.66 g/mol
LogP5.52
Rot. Bonds4

About 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline

3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline (PubChem CID 91183805) has the molecular formula C15H14Cl3N3 and a molecular weight of 342.66 g/mol. Its IUPAC name is 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
PubChem CID91183805
Molecular FormulaC15H14Cl3N3
Molecular Weight342.66 g/mol
Exact Mass341.03
IUPAC Name3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
SMILESCNc1ccc(Cl)cc1/C(C)=N\Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl3N3/c1-9(12-7-10(16)3-6-15(12)19-2)20-21-11-4-5-13(17)14(18)8-11/h3-8,19,21H,1-2H3/b20-9-
InChIKeyAGXIBAOHSMVNEK-UKWGHVSLSA-N
XLogP5.52
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.66
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537
4-chloro-2-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 91332262
2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 6300123
3,4-dichloro-N-[(E)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-ethylaniline
CID 58987820
2,3-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]-N-methylaniline
CID 90742179
3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
CID 3541372
3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 16555836
4-chloro-N-methyl-2-[(Z)-C-methyl-N-piperidin-1-ylcarbonimidoyl]aniline
CID 91415552
4-chloro-2-[(Z)-N-(4-chloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90885434
2-[(E)-N-anilino-C-ethylcarbonimidoyl]-4-chloro-N-methylaniline
CID 58987816
4-[(Z)-N-(3,4-dichloroanilino)-C-methylcarbonimidoyl]-N-methylbenzenesulfonamide
CID 9058961
4-chloro-2-[(E)-N-(3,5-dichloro-N-methylanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 58987806

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline?
The IUPAC name of 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline (CID 91183805) is 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline?
The canonical SMILES for 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline is CNc1ccc(Cl)cc1/C(C)=N\Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline?
The InChIKey is AGXIBAOHSMVNEK-UKWGHVSLSA-N. The full InChI is InChI=1S/C15H14Cl3N3/c1-9(12-7-10(16)3-6-15(12)19-2)20-21-11-4-5-13(17)14(18)8-11/h3-8,19,21H,1-2H3/b20-9-.
What are the key properties of 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline?
3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline has a molecular weight of 342.66 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline is sourced from PubChem (CID 91183805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).