2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide

C15H11Cl2N3O3 — CID 7937156

IUPAC2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11Cl2N3O3/c1-9(10-6-7-13(17)14(8-10)20(22)23)18-19-15(21)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,19,21)/b18-9-
InChIKeyNCECNMSYOKVHAB-NVMNQCDNSA-N
MW352.18 g/mol
LogP4.06
Rot. Bonds4

About 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide

2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide (PubChem CID 7937156) has the molecular formula C15H11Cl2N3O3 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
PubChem CID7937156
Molecular FormulaC15H11Cl2N3O3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC Name2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11Cl2N3O3/c1-9(10-6-7-13(17)14(8-10)20(22)23)18-19-15(21)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,19,21)/b18-9-
InChIKeyNCECNMSYOKVHAB-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

4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3407766
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272
N-(butan-2-ylideneamino)-4-chloro-3-nitrobenzamide
CID 923552
N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 46804448
1-[1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-propan-2-ylthiourea
CID 4041828
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-3-nitrobenzamide
CID 3139256
2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
CID 27524668
N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428724
1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
CID 7933632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide (CID 7937156) is 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is NCECNMSYOKVHAB-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3/c1-9(10-6-7-13(17)14(8-10)20(22)23)18-19-15(21)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,19,21)/b18-9-.
What are the key properties of 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide?
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide 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 2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 7937156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).