N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide

C15H12N4O7 — CID 59421966

IUPACN'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide
SMILESO=C(Cc1cccc(O)c1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O7/c20-13-3-1-2-9(4-13)5-14(21)16-17-15(22)10-6-11(18(23)24)8-12(7-10)19(25)26/h1-4,6-8,20H,5H2,(H,16,21)(H,17,22)
InChIKeyHLEIFYVALXBUOV-UHFFFAOYSA-N
MW360.28 g/mol
LogP1.21
Rot. Bonds5

About N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide

N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide (PubChem CID 59421966) has the molecular formula C15H12N4O7 and a molecular weight of 360.28 g/mol. Its IUPAC name is N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide
PubChem CID59421966
Molecular FormulaC15H12N4O7
Molecular Weight360.28 g/mol
Exact Mass360.07
IUPAC NameN'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide
SMILESO=C(Cc1cccc(O)c1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O7/c20-13-3-1-2-9(4-13)5-14(21)16-17-15(22)10-6-11(18(23)24)8-12(7-10)19(25)26/h1-4,6-8,20H,5H2,(H,16,21)(H,17,22)
InChIKeyHLEIFYVALXBUOV-UHFFFAOYSA-N
XLogP1.21
TPSA164.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide 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

4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422014
N'-[2-(3-hydroxyphenyl)acetyl]-3-iodobenzohydrazide
CID 149266850
N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide
CID 89245814
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-nitrobenzohydrazide
CID 8573535
methyl 4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzoate
CID 59421998
N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide
CID 3267740
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N-benzyl-3,5-dinitrobenzamide
CID 4296325
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033660
2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide?
The IUPAC name of N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide (CID 59421966) is N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide.
What is the SMILES notation for N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide?
The canonical SMILES for N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide is O=C(Cc1cccc(O)c1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide?
The InChIKey is HLEIFYVALXBUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O7/c20-13-3-1-2-9(4-13)5-14(21)16-17-15(22)10-6-11(18(23)24)8-12(7-10)19(25)26/h1-4,6-8,20H,5H2,(H,16,21)(H,17,22).
What are the key properties of N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide?
N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide has a molecular weight of 360.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 59421966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).