4-anilino-3,5-dinitrobenzohydrazide

C13H11N5O5 — CID 132593734

IUPAC4-anilino-3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N5O5/c14-16-13(19)8-6-10(17(20)21)12(11(7-8)18(22)23)15-9-4-2-1-3-5-9/h1-7,15H,14H2,(H,16,19)
InChIKeyANMNELWRQTYXGY-UHFFFAOYSA-N
MW317.26 g/mol
LogP1.85
Rot. Bonds5

About 4-anilino-3,5-dinitrobenzohydrazide

4-anilino-3,5-dinitrobenzohydrazide (PubChem CID 132593734) has the molecular formula C13H11N5O5 and a molecular weight of 317.26 g/mol. Its IUPAC name is 4-anilino-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound Name4-anilino-3,5-dinitrobenzohydrazide
PubChem CID132593734
Molecular FormulaC13H11N5O5
Molecular Weight317.26 g/mol
Exact Mass317.08
IUPAC Name4-anilino-3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N5O5/c14-16-13(19)8-6-10(17(20)21)12(11(7-8)18(22)23)15-9-4-2-1-3-5-9/h1-7,15H,14H2,(H,16,19)
InChIKeyANMNELWRQTYXGY-UHFFFAOYSA-N
XLogP1.85
TPSA153.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide
CID 132593851
4-(2-methylanilino)-3,5-dinitrobenzohydrazide
CID 132593736
4-(4-iodoanilino)-3,5-dinitrobenzoic acid
CID 23797171
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651
4-anilino-3-nitrobenzoic acid
CID 3824366
4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
CID 132593891
4-methoxy-3,5-dinitrobenzohydrazide
CID 4298975
4-chloro-3-nitrobenzohydrazide
CID 3704353
sodium 2-anilino-5-(4-carboxy-2,6-dinitroanilino)benzenesulfonate
CID 90475209
4-anilino-N-ethoxy-3-nitrobenzamide
CID 18169038
4-[[4-(4-methoxyanilino)-3,5-dinitrobenzoyl]amino]benzoic acid
CID 5241323
4-(4-ethylanilino)-3,5-dinitrobenzoyl chloride
CID 132591591

Frequently Asked Questions

What is the IUPAC name of 4-anilino-3,5-dinitrobenzohydrazide?
The IUPAC name of 4-anilino-3,5-dinitrobenzohydrazide (CID 132593734) is 4-anilino-3,5-dinitrobenzohydrazide.
What is the SMILES notation for 4-anilino-3,5-dinitrobenzohydrazide?
The canonical SMILES for 4-anilino-3,5-dinitrobenzohydrazide is NNC(=O)c1cc([N+](=O)[O-])c(Nc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-anilino-3,5-dinitrobenzohydrazide?
The InChIKey is ANMNELWRQTYXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O5/c14-16-13(19)8-6-10(17(20)21)12(11(7-8)18(22)23)15-9-4-2-1-3-5-9/h1-7,15H,14H2,(H,16,19).
What are the key properties of 4-anilino-3,5-dinitrobenzohydrazide?
4-anilino-3,5-dinitrobenzohydrazide has a molecular weight of 317.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 132593734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).