4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide

C14H14N4O3 — CID 62241983

IUPAC4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc(NN)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H14N4O3/c1-9-2-5-11(6-3-9)16-14(19)10-4-7-12(17-15)13(8-10)18(20)21/h2-8,17H,15H2,1H3,(H,16,19)
InChIKeyIIRMQTFSDMMMGJ-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.44
Rot. Bonds4

About 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide

4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide (PubChem CID 62241983) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
PubChem CID62241983
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc(NN)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H14N4O3/c1-9-2-5-11(6-3-9)16-14(19)10-4-7-12(17-15)13(8-10)18(20)21/h2-8,17H,15H2,1H3,(H,16,19)
InChIKeyIIRMQTFSDMMMGJ-UHFFFAOYSA-N
XLogP2.44
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-methyl-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19174835
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide
CID 62242193
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
4-(cyclopropylamino)-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 7923542
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-[(2-chlorophenyl)methylamino]-N-(4-methylphenyl)-3-nitrobenzamide
CID 4676214
4-imidazol-1-yl-N-(4-methylphenyl)-3-nitrobenzamide
CID 26086024
4-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)-3-nitrobenzamide
CID 58443624
4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-N-(4-methylphenyl)-3-nitrobenzamide
CID 6014763
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide (CID 62241983) is 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide is Cc1ccc(NC(=O)c2ccc(NN)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide?
The InChIKey is IIRMQTFSDMMMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-2-5-11(6-3-9)16-14(19)10-4-7-12(17-15)13(8-10)18(20)21/h2-8,17H,15H2,1H3,(H,16,19).
What are the key properties of 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide?
4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 62241983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).