3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline

C15H13Cl2N3O4 — CID 9058963

IUPAC3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline
SMILESCOc1cc(/C=N\Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H13Cl2N3O4/c1-23-14-5-9(13(20(21)22)7-15(14)24-2)8-18-19-10-3-4-11(16)12(17)6-10/h3-8,19H,1-2H3/b18-8-
InChIKeyZMURCCAMONAMKD-LSCVHKIXSA-N
MW370.19 g/mol
LogP4.36
Rot. Bonds6

About 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline

3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline (PubChem CID 9058963) has the molecular formula C15H13Cl2N3O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline
PubChem CID9058963
Molecular FormulaC15H13Cl2N3O4
Molecular Weight370.19 g/mol
Exact Mass369.03
IUPAC Name3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline
SMILESCOc1cc(/C=N\Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H13Cl2N3O4/c1-23-14-5-9(13(20(21)22)7-15(14)24-2)8-18-19-10-3-4-11(16)12(17)6-10/h3-8,19H,1-2H3/b18-8-
InChIKeyZMURCCAMONAMKD-LSCVHKIXSA-N
XLogP4.36
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-fluoroaniline
CID 9076217
2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxy-4-nitrophenol
CID 136704644
3-chloro-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-methoxyaniline
CID 110505397
N-[(5-ethoxy-4-methoxy-2-nitrophenyl)methylideneamino]-4-fluoroaniline
CID 110840825
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
CID 169384053
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135622238
3-chloro-4-methyl-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]aniline
CID 9069299
4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704655
N-(3-chlorophenyl)-1-(4,5-dimethoxy-2-nitrophenyl)methanimine
CID 139227482
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 4631028

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline?
The IUPAC name of 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline (CID 9058963) is 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline?
The canonical SMILES for 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline is COc1cc(/C=N\Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline?
The InChIKey is ZMURCCAMONAMKD-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4/c1-23-14-5-9(13(20(21)22)7-15(14)24-2)8-18-19-10-3-4-11(16)12(17)6-10/h3-8,19H,1-2H3/b18-8-.
What are the key properties of 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline?
3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline has a molecular weight of 370.19 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]aniline is sourced from PubChem (CID 9058963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).