5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide

C16H16ClN3O3 — CID 9092755

IUPAC5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide
SMILESCCN(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)cc1
InChIInChI=1S/C16H16ClN3O3/c1-3-19(13-7-4-11(2)5-8-13)18-16(21)14-10-12(17)6-9-15(14)20(22)23/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyRARUFZYOEOVFCL-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.73
Rot. Bonds5

About 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide

5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide (PubChem CID 9092755) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide
PubChem CID9092755
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide
SMILESCCN(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)cc1
InChIInChI=1S/C16H16ClN3O3/c1-3-19(13-7-4-11(2)5-8-13)18-16(21)14-10-12(17)6-9-15(14)20(22)23/h4-10H,3H2,1-2H3,(H,18,21)
InChIKeyRARUFZYOEOVFCL-UHFFFAOYSA-N
XLogP3.73
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide?
The IUPAC name of 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide (CID 9092755) is 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide.
What is the SMILES notation for 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide?
The canonical SMILES for 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide is CCN(NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(C)cc1.
What is the InChIKey of 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide?
The InChIKey is RARUFZYOEOVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-3-19(13-7-4-11(2)5-8-13)18-16(21)14-10-12(17)6-9-15(14)20(22)23/h4-10H,3H2,1-2H3,(H,18,21).
What are the key properties of 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide?
5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide has a molecular weight of 333.78 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-ethyl-N'-(4-methylphenyl)-2-nitrobenzohydrazide is sourced from PubChem (CID 9092755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).