N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline

C14H11ClN4O4 — CID 6138465

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4O4/c1-9(10-2-4-11(15)5-3-10)16-17-13-7-6-12(18(20)21)8-14(13)19(22)23/h2-8,17H,1H3/b16-9-
InChIKeyFGXAJBJQNKMONT-SXGWCWSVSA-N
MW334.72 g/mol
LogP3.99
Rot. Bonds5

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline (PubChem CID 6138465) has the molecular formula C14H11ClN4O4 and a molecular weight of 334.72 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
PubChem CID6138465
Molecular FormulaC14H11ClN4O4
Molecular Weight334.72 g/mol
Exact Mass334.05
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
SMILESC/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4O4/c1-9(10-2-4-11(15)5-3-10)16-17-13-7-6-12(18(20)21)8-14(13)19(22)23/h2-8,17H,1H3/b16-9-
InChIKeyFGXAJBJQNKMONT-SXGWCWSVSA-N
XLogP3.99
TPSA110.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 53.99
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-[(E)-1-(4-fluorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 139082946
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
4-[2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile
CID 3442354
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2,4-dinitroaniline
CID 6154139
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 6007515
N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,4-dinitroaniline
CID 3493756
N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline
CID 5035188
(2E)-4-(4-chlorophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]-4-oxobutanoic acid
CID 6108032
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]propan-1-ol
CID 171042675
N-[(E)-[1-(4-chlorophenyl)-2-(4-methylpyridin-1-ium-1-yl)ethylidene]amino]-2,4-dinitroaniline
CID 45045292
N-[(Z)-[1-(4-chlorophenyl)-2-pyridin-1-ium-1-ylethylidene]amino]-2,4-dinitroaniline
CID 6048573
N-[(E)-[1-(4-chlorophenyl)-2-pyridin-1-ium-1-ylethylidene]amino]-2,4-dinitroaniline
CID 45045290

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline (CID 6138465) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline is C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline?
The InChIKey is FGXAJBJQNKMONT-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H11ClN4O4/c1-9(10-2-4-11(15)5-3-10)16-17-13-7-6-12(18(20)21)8-14(13)19(22)23/h2-8,17H,1H3/b16-9-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline has a molecular weight of 334.72 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline is sourced from PubChem (CID 6138465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).