2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide

C14H14N4O3 — CID 62241799

IUPAC2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NN)cc1
InChIInChI=1S/C14H14N4O3/c1-9-2-4-10(5-3-9)16-14(19)12-8-11(18(20)21)6-7-13(12)17-15/h2-8,17H,15H2,1H3,(H,16,19)
InChIKeyJPLHOTHTBNTNGA-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.44
Rot. Bonds4

About 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide

2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide (PubChem CID 62241799) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
PubChem CID62241799
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
SMILESCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NN)cc1
InChIInChI=1S/C14H14N4O3/c1-9-2-4-10(5-3-9)16-14(19)12-8-11(18(20)21)6-7-13(12)17-15/h2-8,17H,15H2,1H3,(H,16,19)
InChIKeyJPLHOTHTBNTNGA-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

2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 62241983
N-(4-aminophenyl)-2-methyl-5-nitrobenzamide
CID 63214788
2-[(4-methylphenyl)carbamoyl]-4,6-dinitrophenolate
CID 7038048
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55052407
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide (CID 62241799) is 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide is Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NN)cc1.
What is the InChIKey of 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide?
The InChIKey is JPLHOTHTBNTNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-2-4-10(5-3-9)16-14(19)12-8-11(18(20)21)6-7-13(12)17-15/h2-8,17H,15H2,1H3,(H,16,19).
What are the key properties of 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide?
2-hydrazinyl-N-(4-methylphenyl)-5-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 2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide is sourced from PubChem (CID 62241799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).