1-methoxy-3-(2-nitrophenyl)urea

C8H9N3O4 — CID 5118632

IUPAC1-methoxy-3-(2-nitrophenyl)urea
SMILESCONC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c1-15-10-8(12)9-6-4-2-3-5-7(6)11(13)14/h2-5H,1H3,(H2,9,10,12)
InChIKeyQPBOEKIIFJJVDJ-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.28
Rot. Bonds3

About 1-methoxy-3-(2-nitrophenyl)urea

1-methoxy-3-(2-nitrophenyl)urea (PubChem CID 5118632) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-methoxy-3-(2-nitrophenyl)urea.

Molecular Properties

Compound Name1-methoxy-3-(2-nitrophenyl)urea
PubChem CID5118632
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name1-methoxy-3-(2-nitrophenyl)urea
SMILESCONC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c1-15-10-8(12)9-6-4-2-3-5-7(6)11(13)14/h2-5H,1H3,(H2,9,10,12)
InChIKeyQPBOEKIIFJJVDJ-UHFFFAOYSA-N
XLogP1.28
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-ethoxy-3-(2-nitrophenyl)urea
CID 5118633
1-(2-nitrophenyl)-3-propoxyurea
CID 5118634
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
1-(2-nitrophenyl)-3-propylurea
CID 31682023
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
1-benzamido-3-(2-nitrophenyl)urea
CID 91390180
2-(2-methoxyphenoxy)-N-(2-nitrophenyl)benzamide
CID 38114692
N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
CID 45000518
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763
2-methyl-6-[(2-nitrophenyl)carbamoylamino]benzoic acid
CID 23444552
methyl 2-(2-nitrophenyl)acetate
CID 520464

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-nitrophenyl)urea?
The IUPAC name of 1-methoxy-3-(2-nitrophenyl)urea (CID 5118632) is 1-methoxy-3-(2-nitrophenyl)urea.
What is the SMILES notation for 1-methoxy-3-(2-nitrophenyl)urea?
The canonical SMILES for 1-methoxy-3-(2-nitrophenyl)urea is CONC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-methoxy-3-(2-nitrophenyl)urea?
The InChIKey is QPBOEKIIFJJVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-15-10-8(12)9-6-4-2-3-5-7(6)11(13)14/h2-5H,1H3,(H2,9,10,12).
What are the key properties of 1-methoxy-3-(2-nitrophenyl)urea?
1-methoxy-3-(2-nitrophenyl)urea has a molecular weight of 211.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-nitrophenyl)urea is sourced from PubChem (CID 5118632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).