1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea

C13H11N3O4 — CID 28540569

IUPAC1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
SMILESO=C(Nc1cccc(O)c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c17-12-6-2-4-10(8-12)15-13(18)14-9-3-1-5-11(7-9)16(19)20/h1-8,17H,(H2,14,15,18)
InChIKeyFODKMVPYSOXLJA-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.94
Rot. Bonds3

About 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea

1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea (PubChem CID 28540569) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
PubChem CID28540569
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
SMILESO=C(Nc1cccc(O)c1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O4/c17-12-6-2-4-10(8-12)15-13(18)14-9-3-1-5-11(7-9)16(19)20/h1-8,17H,(H2,14,15,18)
InChIKeyFODKMVPYSOXLJA-UHFFFAOYSA-N
XLogP2.94
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.94
H-Bond Donors ≤ 53
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

N-[4-[(3-nitrophenyl)carbamoylamino]anilino]carbamoyl iodide
CID 88714573
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
2-[2-[(3-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoacetamide
CID 5073595
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
1-methoxy-3-(3-nitrophenyl)urea
CID 41474055
1-(3-nitrophenyl)-3-(trifluoromethyl)urea
CID 108865882
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
CID 17180814
1-(4-fluoroanilino)-3-(3-nitrophenyl)urea
CID 51223381
1-(6-bromo-2-pyridinyl)-3-(3-nitrophenyl)urea
CID 43520597
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea (CID 28540569) is 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea is O=C(Nc1cccc(O)c1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea?
The InChIKey is FODKMVPYSOXLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-12-6-2-4-10(8-12)15-13(18)14-9-3-1-5-11(7-9)16(19)20/h1-8,17H,(H2,14,15,18).
What are the key properties of 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea?
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea has a molecular weight of 273.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea is sourced from PubChem (CID 28540569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).