2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide

C14H8Cl3N3O3 — CID 4507805

IUPAC2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl3N3O3/c15-9-1-3-11(13(17)6-9)14(21)19-18-7-8-5-10(20(22)23)2-4-12(8)16/h1-7H,(H,19,21)
InChIKeyJEFXQAHVTUUVMG-UHFFFAOYSA-N
MW372.60 g/mol
LogP4.32
Rot. Bonds4

About 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide

2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 4507805) has the molecular formula C14H8Cl3N3O3 and a molecular weight of 372.60 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
PubChem CID4507805
Molecular FormulaC14H8Cl3N3O3
Molecular Weight372.60 g/mol
Exact Mass370.96
IUPAC Name2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl3N3O3/c15-9-1-3-11(13(17)6-9)14(21)19-18-7-8-5-10(20(22)23)2-4-12(8)16/h1-7H,(H,19,21)
InChIKeyJEFXQAHVTUUVMG-UHFFFAOYSA-N
XLogP4.32
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.60
LogP ≤ 54.32
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

2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide
CID 4520200
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
1,3-bis[(E)-(2-chloro-5-nitrophenyl)methylideneamino]urea
CID 126842911
2,4-dichloro-N-[(E)-[2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-5-nitrophenyl]methylideneamino]benzamide
CID 126117727
N-[(E)-[2-(2-acetamidophenyl)sulfanyl-5-nitrophenyl]methylideneamino]-2,4-dichlorobenzamide
CID 126123731
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
2-chloro-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide
CID 5334573
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 5417751
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 9012184
[2-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-6-nitrophenyl] 4-nitrobenzoate
CID 126233402
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide (CID 4507805) is 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is JEFXQAHVTUUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3O3/c15-9-1-3-11(13(17)6-9)14(21)19-18-7-8-5-10(20(22)23)2-4-12(8)16/h1-7H,(H,19,21).
What are the key properties of 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 372.60 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 4507805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).