4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide

C13H20N4O3 — CID 62241366

IUPAC4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H20N4O3/c1-3-4-5-8-16(2)13(18)10-6-7-11(15-14)12(9-10)17(19)20/h6-7,9,15H,3-5,8,14H2,1-2H3
InChIKeyOSOHQIXVQHCXOB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.14
Rot. Bonds7

About 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide

4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide (PubChem CID 62241366) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
PubChem CID62241366
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C13H20N4O3/c1-3-4-5-8-16(2)13(18)10-6-7-11(15-14)12(9-10)17(19)20/h6-7,9,15H,3-5,8,14H2,1-2H3
InChIKeyOSOHQIXVQHCXOB-UHFFFAOYSA-N
XLogP2.14
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

4-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitrobenzamide
CID 79845633
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 62236416
N-butyl-4-fluoro-N-methyl-3-nitrobenzamide
CID 43244068
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
4-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 115987377
N-(2-methoxyethyl)-N-methyl-3-nitro-4-(propylamino)benzamide
CID 62178827
4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 62247819
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide?
The IUPAC name of 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide (CID 62241366) is 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide.
What is the SMILES notation for 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide?
The canonical SMILES for 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide is CCCCCN(C)C(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide?
The InChIKey is OSOHQIXVQHCXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-4-5-8-16(2)13(18)10-6-7-11(15-14)12(9-10)17(19)20/h6-7,9,15H,3-5,8,14H2,1-2H3.
What are the key properties of 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide?
4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-methyl-3-nitro-N-pentylbenzamide is sourced from PubChem (CID 62241366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).