(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride

C13H10ClN3O2 — CID 5360802

IUPAC(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
SMILESO=[N+]([O-])c1ccc(N/N=C(/Cl)c2ccccc2)cc1
InChIInChI=1S/C13H10ClN3O2/c14-13(10-4-2-1-3-5-10)16-15-11-6-8-12(9-7-11)17(18)19/h1-9,15H/b16-13+
InChIKeyJFDRODAOMXUGGM-DTQAZKPQSA-N
MW275.70 g/mol
LogP3.61
Rot. Bonds4

About (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride

(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride (PubChem CID 5360802) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
PubChem CID5360802
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
SMILESO=[N+]([O-])c1ccc(N/N=C(/Cl)c2ccccc2)cc1
InChIInChI=1S/C13H10ClN3O2/c14-13(10-4-2-1-3-5-10)16-15-11-6-8-12(9-7-11)17(18)19/h1-9,15H/b16-13+
InChIKeyJFDRODAOMXUGGM-DTQAZKPQSA-N
XLogP3.61
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 53.61
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-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
(1E)-N-(4-nitrophenyl)ethanehydrazonoyl chloride
CID 6518748
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
N-[(E)-(5-chloro-1-phenylpentylidene)amino]-4-nitroaniline
CID 6378428
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride
CID 12730139
2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
CID 2771528

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride?
The IUPAC name of (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride (CID 5360802) is (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride is O=[N+]([O-])c1ccc(N/N=C(/Cl)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride?
The InChIKey is JFDRODAOMXUGGM-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-13(10-4-2-1-3-5-10)16-15-11-6-8-12(9-7-11)17(18)19/h1-9,15H/b16-13+.
What are the key properties of (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride?
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride has a molecular weight of 275.70 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 5360802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).