[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea

C10H11N5O5 — CID 18168702

IUPAC[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O5/c11-10(18)12-5-8(16)13-14-9(17)6-2-1-3-7(4-6)15(19)20/h1-4H,5H2,(H,13,16)(H,14,17)(H3,11,12,18)
InChIKeyJGNTWWXLIBWORL-UHFFFAOYSA-N
MW281.23 g/mol
LogP-0.98
Rot. Bonds4

About [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea

[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea (PubChem CID 18168702) has the molecular formula C10H11N5O5 and a molecular weight of 281.23 g/mol. Its IUPAC name is [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
PubChem CID18168702
Molecular FormulaC10H11N5O5
Molecular Weight281.23 g/mol
Exact Mass281.08
IUPAC Name[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O5/c11-10(18)12-5-8(16)13-14-9(17)6-2-1-3-7(4-6)15(19)20/h1-4H,5H2,(H,13,16)(H,14,17)(H3,11,12,18)
InChIKeyJGNTWWXLIBWORL-UHFFFAOYSA-N
XLogP-0.98
TPSA156.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
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'}

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Related Compounds

5-bromo-N-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27662850
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 27662135
3-nitro-N'-tetradecanoylbenzohydrazide
CID 54791907
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
CID 4023612
N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide
CID 134056434
N'-[3-(3-bromophenyl)propanoyl]-3-nitrobenzohydrazide
CID 78774211
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
N-(bromomethyl)-3-nitrobenzamide
CID 152767931
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
CID 18159278

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea?
The IUPAC name of [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea (CID 18168702) is [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea?
The canonical SMILES for [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea is NC(=O)NCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea?
The InChIKey is JGNTWWXLIBWORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O5/c11-10(18)12-5-8(16)13-14-9(17)6-2-1-3-7(4-6)15(19)20/h1-4H,5H2,(H,13,16)(H,14,17)(H3,11,12,18).
What are the key properties of [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea?
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea has a molecular weight of 281.23 g/mol, XLogP of -0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea is sourced from PubChem (CID 18168702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).