N-benzyl-3-hydrazinyl-2-nitrobenzamide

C14H14N4O3 — CID 115549377

IUPACN-benzyl-3-hydrazinyl-2-nitrobenzamide
SMILESNNc1cccc(C(=O)NCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c15-17-12-8-4-7-11(13(12)18(20)21)14(19)16-9-10-5-2-1-3-6-10/h1-8,17H,9,15H2,(H,16,19)
InChIKeyOVPAKRXYDBQHOC-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.81
Rot. Bonds5

About N-benzyl-3-hydrazinyl-2-nitrobenzamide

N-benzyl-3-hydrazinyl-2-nitrobenzamide (PubChem CID 115549377) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-benzyl-3-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-benzyl-3-hydrazinyl-2-nitrobenzamide
PubChem CID115549377
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-benzyl-3-hydrazinyl-2-nitrobenzamide
SMILESNNc1cccc(C(=O)NCc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c15-17-12-8-4-7-11(13(12)18(20)21)14(19)16-9-10-5-2-1-3-6-10/h1-8,17H,9,15H2,(H,16,19)
InChIKeyOVPAKRXYDBQHOC-UHFFFAOYSA-N
XLogP1.81
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.81
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'}

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Related Compounds

3-hydrazinyl-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 115549529
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 113333609
3-hydrazinyl-2-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115549606
3-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-nitrobenzamide
CID 115549495
3-hydrazinyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-nitrobenzamide
CID 115549530
3-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-nitrobenzamide
CID 115549498
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
N-[(4-aminophenyl)methyl]-3-methyl-2-nitrobenzamide
CID 116649925
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-benzyl-3-hydrazinyl-2-nitrobenzamide (CID 115549377) is N-benzyl-3-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-benzyl-3-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-benzyl-3-hydrazinyl-2-nitrobenzamide is NNc1cccc(C(=O)NCc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N-benzyl-3-hydrazinyl-2-nitrobenzamide?
The InChIKey is OVPAKRXYDBQHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-17-12-8-4-7-11(13(12)18(20)21)14(19)16-9-10-5-2-1-3-6-10/h1-8,17H,9,15H2,(H,16,19).
What are the key properties of N-benzyl-3-hydrazinyl-2-nitrobenzamide?
N-benzyl-3-hydrazinyl-2-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 115549377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).