5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide

C11H15N5O4 — CID 62249335

IUPAC5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide
SMILESCNC(=O)C(C)NC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O4/c1-6(10(17)13-2)14-11(18)8-5-7(15-12)3-4-9(8)16(19)20/h3-6,15H,12H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyXAEUSWKKGZTDQD-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.26
Rot. Bonds5

About 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide

5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide (PubChem CID 62249335) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide
PubChem CID62249335
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide
SMILESCNC(=O)C(C)NC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O4/c1-6(10(17)13-2)14-11(18)8-5-7(15-12)3-4-9(8)16(19)20/h3-6,15H,12H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyXAEUSWKKGZTDQD-UHFFFAOYSA-N
XLogP-0.26
TPSA139.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
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

5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
N-(3,3-dimethylbutan-2-yl)-5-hydrazinyl-2-nitrobenzamide
CID 104829982
N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(methylamino)-2-nitrobenzamide
CID 62176241
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339
N-(1-amino-1-oxopropan-2-yl)-5-(ethylamino)-2-nitrobenzamide
CID 62170077
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-5-nitrobenzamide
CID 62059014
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]-4-nitrobenzamide
CID 82780779
5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331363
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
CID 113478196
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide?
The IUPAC name of 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide (CID 62249335) is 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide.
What is the SMILES notation for 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide?
The canonical SMILES for 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide is CNC(=O)C(C)NC(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide?
The InChIKey is XAEUSWKKGZTDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c1-6(10(17)13-2)14-11(18)8-5-7(15-12)3-4-9(8)16(19)20/h3-6,15H,12H2,1-2H3,(H,13,17)(H,14,18).
What are the key properties of 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide?
5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide has a molecular weight of 281.27 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide is sourced from PubChem (CID 62249335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).