2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide

C16H14Cl2N4O3 — CID 9261042

IUPAC2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14Cl2N4O3/c1-21(2)14-6-3-10(7-15(14)22(24)25)9-19-20-16(23)12-8-11(17)4-5-13(12)18/h3-9H,1-2H3,(H,20,23)/b19-9-
InChIKeyAKCHPWWKWREVTE-OCKHKDLRSA-N
MW381.22 g/mol
LogP3.73
Rot. Bonds5

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

2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide (PubChem CID 9261042) has the molecular formula C16H14Cl2N4O3 and a molecular weight of 381.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
PubChem CID9261042
Molecular FormulaC16H14Cl2N4O3
Molecular Weight381.22 g/mol
Exact Mass380.04
IUPAC Name2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(/C=N\NC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14Cl2N4O3/c1-21(2)14-6-3-10(7-15(14)22(24)25)9-19-20-16(23)12-8-11(17)4-5-13(12)18/h3-9H,1-2H3,(H,20,23)/b19-9-
InChIKeyAKCHPWWKWREVTE-OCKHKDLRSA-N
XLogP3.73
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9016525
2-(4-chlorophenoxy)-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]acetamide
CID 9257149
4-tert-butyl-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9259568
2-chloro-N-[1-[2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3915558
N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-3-nitrobenzamide
CID 7635577
4-chloro-N-[1-[2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 4261925
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764254
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
CID 1123704
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 42992282
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5222623

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
The IUPAC name of 2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide (CID 9261042) is 2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide is CN(C)c1ccc(/C=N\NC(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
The InChIKey is AKCHPWWKWREVTE-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14Cl2N4O3/c1-21(2)14-6-3-10(7-15(14)22(24)25)9-19-20-16(23)12-8-11(17)4-5-13(12)18/h3-9H,1-2H3,(H,20,23)/b19-9-.
What are the key properties of 2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide?
2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide has a molecular weight of 381.22 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide is sourced from PubChem (CID 9261042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).