3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline

C13H9Cl2N3O2 — CID 84924393

IUPAC3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(C=NNc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O2/c14-10-2-1-3-11(7-10)17-16-8-9-4-5-12(15)13(6-9)18(19)20/h1-8,17H
InChIKeyRXXOAUAJFKDIEE-UHFFFAOYSA-N
MW310.14 g/mol
LogP4.35
Rot. Bonds4

About 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline

3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline (PubChem CID 84924393) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
PubChem CID84924393
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC Name3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1cc(C=NNc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O2/c14-10-2-1-3-11(7-10)17-16-8-9-4-5-12(15)13(6-9)18(19)20/h1-8,17H
InChIKeyRXXOAUAJFKDIEE-UHFFFAOYSA-N
XLogP4.35
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
3-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596969
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methylaniline
CID 18269387
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
CID 9014699
4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135593942
4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 4965646
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]acridin-9-amine
CID 44715031

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline (CID 84924393) is 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline is O=[N+]([O-])c1cc(C=NNc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline?
The InChIKey is RXXOAUAJFKDIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c14-10-2-1-3-11(7-10)17-16-8-9-4-5-12(15)13(6-9)18(19)20/h1-8,17H.
What are the key properties of 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline?
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline has a molecular weight of 310.14 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 84924393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).