(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride

C14H12ClN3O2 — CID 12730139

IUPAC(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESCc1cc(/C(Cl)=N/Nc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O2/c1-10-9-11(7-8-13(10)18(19)20)14(15)17-16-12-5-3-2-4-6-12/h2-9,16H,1H3/b17-14-
InChIKeyUJKLHGZNWGHNJF-VKAVYKQESA-N
MW289.72 g/mol
LogP3.92
Rot. Bonds4

About (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride

(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride (PubChem CID 12730139) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride
PubChem CID12730139
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride
SMILESCc1cc(/C(Cl)=N/Nc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O2/c1-10-9-11(7-8-13(10)18(19)20)14(15)17-16-12-5-3-2-4-6-12/h2-9,16H,1H3/b17-14-
InChIKeyUJKLHGZNWGHNJF-VKAVYKQESA-N
XLogP3.92
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.92
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

(1Z)-N-hydroxy-3-methyl-4-nitrobenzenecarboximidoyl chloride
CID 23159814
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 154203611
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
4-[(3-methyl-4-nitrobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4135118
N-[(E)-[(4-methylphenyl)-nitromethylidene]amino]aniline
CID 6277211
3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide
CID 5201298
(1Z)-N-hydroxy-2-(3-methyl-4-nitrophenyl)-2-oxoethanimidoyl chloride
CID 58370468
3-methyl-4-nitro-N-phenylbenzohydrazide
CID 54532028
N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide
CID 51188121
methanesulfonic acid;3-methyl-4-nitrobenzoic acid
CID 159529273

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride (CID 12730139) is (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride is Cc1cc(/C(Cl)=N/Nc2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride?
The InChIKey is UJKLHGZNWGHNJF-VKAVYKQESA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-10-9-11(7-8-13(10)18(19)20)14(15)17-16-12-5-3-2-4-6-12/h2-9,16H,1H3/b17-14-.
What are the key properties of (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride?
(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride has a molecular weight of 289.72 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 12730139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).