N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide

C15H11Cl2N3O3 — CID 6005779

IUPACN-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
SMILESC/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O3/c1-9(10-5-6-13(16)14(17)8-10)18-19-15(21)11-3-2-4-12(7-11)20(22)23/h2-8H,1H3,(H,19,21)/b18-9-
InChIKeyGDFBWXBCZRXJAF-NVMNQCDNSA-N
MW352.18 g/mol
LogP4.06
Rot. Bonds4

About N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide (PubChem CID 6005779) has the molecular formula C15H11Cl2N3O3 and a molecular weight of 352.18 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
PubChem CID6005779
Molecular FormulaC15H11Cl2N3O3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC NameN-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
SMILESC/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3O3/c1-9(10-5-6-13(16)14(17)8-10)18-19-15(21)11-3-2-4-12(7-11)20(22)23/h2-8H,1H3,(H,19,21)/b18-9-
InChIKeyGDFBWXBCZRXJAF-NVMNQCDNSA-N
XLogP4.06
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.06
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

3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-nitrobenzamide
CID 5448440
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
N-[1-(4-tert-butylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3383793
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide (CID 6005779) is N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide is C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide?
The InChIKey is GDFBWXBCZRXJAF-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3/c1-9(10-5-6-13(16)14(17)8-10)18-19-15(21)11-3-2-4-12(7-11)20(22)23/h2-8H,1H3,(H,19,21)/b18-9-.
What are the key properties of N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide?
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide has a molecular weight of 352.18 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 6005779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).