4-hydrazinyl-3-nitro-N-propylbenzamide

C10H14N4O3 — CID 62237139

IUPAC4-hydrazinyl-3-nitro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O3/c1-2-5-12-10(15)7-3-4-8(13-11)9(6-7)14(16)17/h3-4,6,13H,2,5,11H2,1H3,(H,12,15)
InChIKeyZFMKUEFMVOSFEI-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.02
Rot. Bonds5

About 4-hydrazinyl-3-nitro-N-propylbenzamide

4-hydrazinyl-3-nitro-N-propylbenzamide (PubChem CID 62237139) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-hydrazinyl-3-nitro-N-propylbenzamide.

Molecular Properties

Compound Name4-hydrazinyl-3-nitro-N-propylbenzamide
PubChem CID62237139
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name4-hydrazinyl-3-nitro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O3/c1-2-5-12-10(15)7-3-4-8(13-11)9(6-7)14(16)17/h3-4,6,13H,2,5,11H2,1H3,(H,12,15)
InChIKeyZFMKUEFMVOSFEI-UHFFFAOYSA-N
XLogP1.02
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.02
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'}

Analyze 4-hydrazinyl-3-nitro-N-propylbenzamide 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-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
4-methyl-3-nitro-N-propylbenzamide
CID 2057629
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
4-hydrazinyl-3-nitro-N-(4,4,4-trifluorobutyl)benzamide
CID 115522197
N-butyl-4-(butylamino)-3-nitrobenzamide
CID 10957327
N-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
N-(2-ethoxyethyl)-3-nitro-4-(propylamino)benzamide
CID 62186883
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
3-chloro-4-hydrazinyl-5-nitro-N-propylbenzamide
CID 62237870
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
CID 62241366
4-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 82873656

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-nitro-N-propylbenzamide?
The IUPAC name of 4-hydrazinyl-3-nitro-N-propylbenzamide (CID 62237139) is 4-hydrazinyl-3-nitro-N-propylbenzamide.
What is the SMILES notation for 4-hydrazinyl-3-nitro-N-propylbenzamide?
The canonical SMILES for 4-hydrazinyl-3-nitro-N-propylbenzamide is CCCNC(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-3-nitro-N-propylbenzamide?
The InChIKey is ZFMKUEFMVOSFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-2-5-12-10(15)7-3-4-8(13-11)9(6-7)14(16)17/h3-4,6,13H,2,5,11H2,1H3,(H,12,15).
What are the key properties of 4-hydrazinyl-3-nitro-N-propylbenzamide?
4-hydrazinyl-3-nitro-N-propylbenzamide has a molecular weight of 238.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-nitro-N-propylbenzamide is sourced from PubChem (CID 62237139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).