1-hydroxy-3-(N-phenylanilino)urea

C13H13N3O2 — CID 23526175

IUPAC1-hydroxy-3-(N-phenylanilino)urea
SMILESO=C(NO)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3O2/c17-13(15-18)14-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H,(H2,14,15,17)
InChIKeyWJLYPFNKZBTWMF-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.43
Rot. Bonds3

About 1-hydroxy-3-(N-phenylanilino)urea

1-hydroxy-3-(N-phenylanilino)urea (PubChem CID 23526175) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-hydroxy-3-(N-phenylanilino)urea.

Molecular Properties

Compound Name1-hydroxy-3-(N-phenylanilino)urea
PubChem CID23526175
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-hydroxy-3-(N-phenylanilino)urea
SMILESO=C(NO)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N3O2/c17-13(15-18)14-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H,(H2,14,15,17)
InChIKeyWJLYPFNKZBTWMF-UHFFFAOYSA-N
XLogP2.43
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-Diphenylhydrazine
CID 10739
N-Acetyl-1,2-diphenylhydrazine
CID 140901
Hydrazinecarboxamide, N,2-diphenyl-
CID 69299
4,4-Diphenylsemicarbazide
CID 69049
Hydrazinecarboxamide, 1-phenyl-
CID 170220
3-amino-1-phenyl-1H-pyrazol-5-ol
CID 99683
Urea, N,N'-diphenyl-N-nitroso-
CID 96619
1-imino-3-(N-phenylanilino)urea
CID 13292126
N',N'-Diphenylhydrazinecarbohydrazide
CID 13766427
n',n'-Diphenylacetohydrazide
CID 239696
Methylphenylsemicarbazid
CID 238549
n',n'-Diphenylformic hydrazide
CID 241720

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(N-phenylanilino)urea?
The IUPAC name of 1-hydroxy-3-(N-phenylanilino)urea (CID 23526175) is 1-hydroxy-3-(N-phenylanilino)urea.
What is the SMILES notation for 1-hydroxy-3-(N-phenylanilino)urea?
The canonical SMILES for 1-hydroxy-3-(N-phenylanilino)urea is O=C(NO)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-hydroxy-3-(N-phenylanilino)urea?
The InChIKey is WJLYPFNKZBTWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(15-18)14-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H,(H2,14,15,17).
What are the key properties of 1-hydroxy-3-(N-phenylanilino)urea?
1-hydroxy-3-(N-phenylanilino)urea has a molecular weight of 243.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(N-phenylanilino)urea is sourced from PubChem (CID 23526175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).