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

C14H9Cl2N3O3 — CID 774246

IUPAC2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O3/c15-10-5-6-11(12(16)7-10)14(20)18-17-8-9-3-1-2-4-13(9)19(21)22/h1-8H,(H,18,20)
InChIKeyXIUHNGQHUUYFQY-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.67
Rot. Bonds4

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

2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide (PubChem CID 774246) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
PubChem CID774246
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC Name2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O3/c15-10-5-6-11(12(16)7-10)14(20)18-17-8-9-3-1-2-4-13(9)19(21)22/h1-8H,(H,18,20)
InChIKeyXIUHNGQHUUYFQY-UHFFFAOYSA-N
XLogP3.67
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.67
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

2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide
CID 126092170
[2-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-6-nitrophenyl] 4-nitrobenzoate
CID 126233402
[2-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-6-nitrophenyl] furan-2-carboxylate
CID 126233991
2,4-dihydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332442
2-chloro-N-[(2-fluorophenyl)methylideneamino]-4-nitrobenzamide
CID 4520200
[2-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-6-nitrophenyl] 3-methoxybenzoate
CID 126225784
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
3,5-dichloro-N-[(E)-(2-nitrophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 11741322
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide (CID 774246) is 2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide is O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is XIUHNGQHUUYFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c15-10-5-6-11(12(16)7-10)14(20)18-17-8-9-3-1-2-4-13(9)19(21)22/h1-8H,(H,18,20).
What are the key properties of 2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide?
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide has a molecular weight of 338.15 g/mol, XLogP of 3.67, 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-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 774246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).