N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline

C13H8Cl2N4O4 — CID 6132068

IUPACN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C\c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H8Cl2N4O4/c14-10-3-1-2-8(13(10)15)7-16-17-11-5-4-9(18(20)21)6-12(11)19(22)23/h1-7,17H/b16-7-
InChIKeyNOIIVJNPQWYWHB-APSNUPSMSA-N
MW355.14 g/mol
LogP4.26
Rot. Bonds5

About N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline

N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline (PubChem CID 6132068) has the molecular formula C13H8Cl2N4O4 and a molecular weight of 355.14 g/mol. Its IUPAC name is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
PubChem CID6132068
Molecular FormulaC13H8Cl2N4O4
Molecular Weight355.14 g/mol
Exact Mass353.99
IUPAC NameN-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C\c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H8Cl2N4O4/c14-10-3-1-2-8(13(10)15)7-16-17-11-5-4-9(18(20)21)6-12(11)19(22)23/h1-7,17H/b16-7-
InChIKeyNOIIVJNPQWYWHB-APSNUPSMSA-N
XLogP4.26
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 54.26
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

2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 5463188
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-6-ethoxyphenol
CID 135821570
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149
2,4-dinitro-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6282029
2,4-dinitro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 5139236
4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 137122714
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4-dinitroaniline
CID 135411855
N-[(E)-(2-chloro-2-methylpropylidene)amino]-2,4-dinitroaniline
CID 22764781
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126209455

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline?
The IUPAC name of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline (CID 6132068) is N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline.
What is the SMILES notation for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline?
The canonical SMILES for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline is O=[N+]([O-])c1ccc(N/N=C\c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline?
The InChIKey is NOIIVJNPQWYWHB-APSNUPSMSA-N. The full InChI is InChI=1S/C13H8Cl2N4O4/c14-10-3-1-2-8(13(10)15)7-16-17-11-5-4-9(18(20)21)6-12(11)19(22)23/h1-7,17H/b16-7-.
What are the key properties of N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline?
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline has a molecular weight of 355.14 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2,4-dinitroaniline is sourced from PubChem (CID 6132068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).