3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline

C14H11Cl3N2 — CID 3541372

IUPAC3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1cccc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2/c1-9(13-6-5-11(16)8-14(13)17)18-19-12-4-2-3-10(15)7-12/h2-8,19H,1H3
InChIKeyZRYAQLIYBDREFK-UHFFFAOYSA-N
MW313.62 g/mol
LogP5.48
Rot. Bonds3

About 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline

3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline (PubChem CID 3541372) has the molecular formula C14H11Cl3N2 and a molecular weight of 313.62 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
PubChem CID3541372
Molecular FormulaC14H11Cl3N2
Molecular Weight313.62 g/mol
Exact Mass312.00
IUPAC Name3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1cccc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl3N2/c1-9(13-6-5-11(16)8-14(13)17)18-19-12-4-2-3-10(15)7-12/h2-8,19H,1H3
InChIKeyZRYAQLIYBDREFK-UHFFFAOYSA-N
XLogP5.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.62
LogP ≤ 55.48
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'}

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Related Compounds

4-chloro-2-[(Z)-N-(3-chloroanilino)-C-methylcarbonimidoyl]-N-methylaniline
CID 90733537
3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 16555836
3-[(E)-N-(3-chloroanilino)-C-methylcarbonimidoyl]chromen-2-one
CID 139225160
acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine
CID 73243218
2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 6300123
2-[(E)-N-(3-chloroanilino)-C-methylcarbonimidoyl]benzo[f]chromen-3-one
CID 71739722
3,4-dichloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]ethylideneamino]aniline
CID 91183805
3-chloro-N-[(E)-1-quinoxalin-2-ylethylideneamino]aniline
CID 43835805
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
N-[1-(2,5-dichlorophenyl)ethylideneamino]-3-morpholin-4-ylsulfonylaniline
CID 174945820
1-(2,4-dichlorophenyl)ethylidenecyanamide
CID 10856813
2-(3-chloroanilino)-1-oxoguanidine
CID 46183330

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline?
The IUPAC name of 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline (CID 3541372) is 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline is CC(=NNc1cccc(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline?
The InChIKey is ZRYAQLIYBDREFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2/c1-9(13-6-5-11(16)8-14(13)17)18-19-12-4-2-3-10(15)7-12/h2-8,19H,1H3.
What are the key properties of 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline?
3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline has a molecular weight of 313.62 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline is sourced from PubChem (CID 3541372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).