N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide

C15H14N4O2 — CID 104850045

IUPACN-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(NN)cc1
InChIInChI=1S/C15H14N4O2/c1-21-14-8-10(9-16)2-7-13(14)18-15(20)11-3-5-12(19-17)6-4-11/h2-8,19H,17H2,1H3,(H,18,20)
InChIKeyFRJWGKNNKLQOJA-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.10
Rot. Bonds4

About N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide

N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide (PubChem CID 104850045) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
PubChem CID104850045
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1ccc(NN)cc1
InChIInChI=1S/C15H14N4O2/c1-21-14-8-10(9-16)2-7-13(14)18-15(20)11-3-5-12(19-17)6-4-11/h2-8,19H,17H2,1H3,(H,18,20)
InChIKeyFRJWGKNNKLQOJA-UHFFFAOYSA-N
XLogP2.10
TPSA100.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide (CID 104850045) is N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide is COc1cc(C#N)ccc1NC(=O)c1ccc(NN)cc1.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide?
The InChIKey is FRJWGKNNKLQOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-14-8-10(9-16)2-7-13(14)18-15(20)11-3-5-12(19-17)6-4-11/h2-8,19H,17H2,1H3,(H,18,20).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide?
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide is sourced from PubChem (CID 104850045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).