2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide

C9H9N5O5 — CID 5073595

IUPAC2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide
SMILESNC(=O)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9N5O5/c10-7(15)8(16)12-13-9(17)11-5-2-1-3-6(4-5)14(18)19/h1-4H,(H2,10,15)(H,12,16)(H2,11,13,17)
InChIKeyYNCIIOSDYUSGMZ-UHFFFAOYSA-N
MW267.20 g/mol
LogP-0.77
Rot. Bonds2

About 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide

2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide (PubChem CID 5073595) has the molecular formula C9H9N5O5 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide
PubChem CID5073595
Molecular FormulaC9H9N5O5
Molecular Weight267.20 g/mol
Exact Mass267.06
IUPAC Name2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide
SMILESNC(=O)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9N5O5/c10-7(15)8(16)12-13-9(17)11-5-2-1-3-6(4-5)14(18)19/h1-4H,(H2,10,15)(H,12,16)(H2,11,13,17)
InChIKeyYNCIIOSDYUSGMZ-UHFFFAOYSA-N
XLogP-0.77
TPSA156.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
1-(4-fluoroanilino)-3-(3-nitrophenyl)urea
CID 51223381
1-(3-nitrophenyl)-3-(trifluoromethyl)urea
CID 108865882
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-[4-[(3-nitrophenyl)carbamoylamino]anilino]carbamoyl iodide
CID 88714573
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
1-(6-bromo-2-pyridinyl)-3-(3-nitrophenyl)urea
CID 43520597
1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea
CID 27518401
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide?
The IUPAC name of 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide (CID 5073595) is 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide?
The canonical SMILES for 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide is NC(=O)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide?
The InChIKey is YNCIIOSDYUSGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O5/c10-7(15)8(16)12-13-9(17)11-5-2-1-3-6(4-5)14(18)19/h1-4H,(H2,10,15)(H,12,16)(H2,11,13,17).
What are the key properties of 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide?
2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide has a molecular weight of 267.20 g/mol, XLogP of -0.77, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 5073595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).