3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide

C11H16N4O4 — CID 115549585

IUPAC3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide
SMILESCC(O)CN(C)C(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4/c1-7(16)6-14(2)11(17)8-4-3-5-9(13-12)10(8)15(18)19/h3-5,7,13,16H,6,12H2,1-2H3
InChIKeyPBAFTZQJGZPJSH-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.33
Rot. Bonds5

About 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide

3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide (PubChem CID 115549585) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide
PubChem CID115549585
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide
SMILESCC(O)CN(C)C(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4/c1-7(16)6-14(2)11(17)8-4-3-5-9(13-12)10(8)15(18)19/h3-5,7,13,16H,6,12H2,1-2H3
InChIKeyPBAFTZQJGZPJSH-UHFFFAOYSA-N
XLogP0.33
TPSA121.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-N-methyl-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 115549688
2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338594
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115548904
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
N-ethyl-3-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-2-nitrobenzamide
CID 115549684
N-(1-hydroxypropan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 104554331
3-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-nitrobenzamide
CID 103737148
3-hydrazinyl-N-methyl-2-nitro-N-(thiolan-3-yl)benzamide
CID 115549555
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
N,N-diethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548208

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide?
The IUPAC name of 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide (CID 115549585) is 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide?
The canonical SMILES for 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide is CC(O)CN(C)C(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide?
The InChIKey is PBAFTZQJGZPJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7(16)6-14(2)11(17)8-4-3-5-9(13-12)10(8)15(18)19/h3-5,7,13,16H,6,12H2,1-2H3.
What are the key properties of 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide?
3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide has a molecular weight of 268.27 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 115549585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).