N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide

C18H18N4O5 — CID 3284801

IUPACN-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-])NCc1ccccc1
InChIInChI=1S/C18H18N4O5/c23-16(19-12-13-6-2-1-3-7-13)10-11-17(24)20-21-18(25)14-8-4-5-9-15(14)22(26)27/h1-9H,10-12H2,(H,19,23)(H,20,24)(H,21,25)
InChIKeyGMPBAVYPZPUFDM-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.45
Rot. Bonds7

About N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 3284801) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID3284801
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-])NCc1ccccc1
InChIInChI=1S/C18H18N4O5/c23-16(19-12-13-6-2-1-3-7-13)10-11-17(24)20-21-18(25)14-8-4-5-9-15(14)22(26)27/h1-9H,10-12H2,(H,19,23)(H,20,24)(H,21,25)
InChIKeyGMPBAVYPZPUFDM-UHFFFAOYSA-N
XLogP1.45
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide 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

5-[2-(2-nitrobenzoyl)hydrazinyl]-5-oxopentanoic acid
CID 4949721
[2-(benzylamino)-2-oxoethyl] 2-nitrobenzoate
CID 2619575
3-phenylpropyl 4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanoate
CID 4934433
N-benzyl-N'-(2-nitrophenyl)butanediamide
CID 4619061
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263
N-benzyl-4-(2-nitrophenyl)butanamide
CID 118501248
N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
CID 26786259
N-[(4-bromophenyl)methyl]-2-nitrobenzamide
CID 60582772
[(2-nitrobenzoyl)amino]urea
CID 61061190
N-benzyl-2-[(2-nitrobenzoyl)carbamothioylamino]benzamide
CID 4930570
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
2-nitro-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4512739

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide (CID 3284801) is N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)NNC(=O)c1ccccc1[N+](=O)[O-])NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is GMPBAVYPZPUFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c23-16(19-12-13-6-2-1-3-7-13)10-11-17(24)20-21-18(25)14-8-4-5-9-15(14)22(26)27/h1-9H,10-12H2,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 370.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3284801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).