N'-(4-methylbenzoyl)-3-nitrobenzohydrazide

C15H13N3O4 — CID 4506110

IUPACN'-(4-methylbenzoyl)-3-nitrobenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13N3O4/c1-10-5-7-11(8-6-10)14(19)16-17-15(20)12-3-2-4-13(9-12)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyFIZNUPKXRFHQMY-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.98
Rot. Bonds3

About N'-(4-methylbenzoyl)-3-nitrobenzohydrazide

N'-(4-methylbenzoyl)-3-nitrobenzohydrazide (PubChem CID 4506110) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-3-nitrobenzohydrazide
PubChem CID4506110
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN'-(4-methylbenzoyl)-3-nitrobenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13N3O4/c1-10-5-7-11(8-6-10)14(19)16-17-15(20)12-3-2-4-13(9-12)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20)
InChIKeyFIZNUPKXRFHQMY-UHFFFAOYSA-N
XLogP1.98
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-methylbenzoyl)-3-nitrobenzohydrazide 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'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9333305
[4-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 26534154
N-[(1S)-1-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 30397617
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 55704286
N'-[2-(4-methylphenoxy)butanoyl]-3-nitrobenzohydrazide
CID 4950238
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061
N'-(2-bromopropanoyl)-3-nitrobenzohydrazide
CID 3797916
N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide
CID 3548289
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
2,7-dimethyl-N'-(3-nitrobenzoyl)quinoline-3-carbohydrazide
CID 38767727
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-3-nitrobenzohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-3-nitrobenzohydrazide (CID 4506110) is N'-(4-methylbenzoyl)-3-nitrobenzohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-3-nitrobenzohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-3-nitrobenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-3-nitrobenzohydrazide?
The InChIKey is FIZNUPKXRFHQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-10-5-7-11(8-6-10)14(19)16-17-15(20)12-3-2-4-13(9-12)18(21)22/h2-9H,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-(4-methylbenzoyl)-3-nitrobenzohydrazide?
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide has a molecular weight of 299.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-3-nitrobenzohydrazide is sourced from PubChem (CID 4506110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).