4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide

C15H15N5O5 — CID 132593851

IUPAC4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide
SMILESCc1cc(C)cc(Nc2c([N+](=O)[O-])cc(C(=O)NN)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15N5O5/c1-8-3-9(2)5-11(4-8)17-14-12(19(22)23)6-10(15(21)18-16)7-13(14)20(24)25/h3-7,17H,16H2,1-2H3,(H,18,21)
InChIKeyQOLWMWXTAXBEKY-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.47
Rot. Bonds5

About 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide

4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide (PubChem CID 132593851) has the molecular formula C15H15N5O5 and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound Name4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide
PubChem CID132593851
Molecular FormulaC15H15N5O5
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide
SMILESCc1cc(C)cc(Nc2c([N+](=O)[O-])cc(C(=O)NN)cc2[N+](=O)[O-])c1
InChIInChI=1S/C15H15N5O5/c1-8-3-9(2)5-11(4-8)17-14-12(19(22)23)6-10(15(21)18-16)7-13(14)20(24)25/h3-7,17H,16H2,1-2H3,(H,18,21)
InChIKeyQOLWMWXTAXBEKY-UHFFFAOYSA-N
XLogP2.47
TPSA153.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.47
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-anilino-3,5-dinitrobenzohydrazide
CID 132593734
4-(2-methylanilino)-3,5-dinitrobenzohydrazide
CID 132593736
ethyl 2-(3,5-dimethylanilino)-3,5-dinitrobenzoate
CID 132593370
4-methoxy-3,5-dinitrobenzohydrazide
CID 4298975
methyl 4-(4-methylanilino)-3,5-dinitrobenzoate
CID 132593750
4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
CID 132593891
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
N-(3,5-dimethylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 2477356
4-(3,4-dimethylanilino)-3,5-dinitrobenzoate
CID 7183810
4-chloro-3-nitrobenzohydrazide
CID 3704353
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751
4-(4-ethylanilino)-3,5-dinitrobenzoyl chloride
CID 132591591

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide?
The IUPAC name of 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide (CID 132593851) is 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide.
What is the SMILES notation for 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide?
The canonical SMILES for 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide is Cc1cc(C)cc(Nc2c([N+](=O)[O-])cc(C(=O)NN)cc2[N+](=O)[O-])c1.
What is the InChIKey of 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide?
The InChIKey is QOLWMWXTAXBEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5/c1-8-3-9(2)5-11(4-8)17-14-12(19(22)23)6-10(15(21)18-16)7-13(14)20(24)25/h3-7,17H,16H2,1-2H3,(H,18,21).
What are the key properties of 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide?
4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide has a molecular weight of 345.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 132593851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).