(N-(3-hydroxyphenyl)anilino)urea

C13H13N3O2 — CID 54130372

IUPAC(N-(3-hydroxyphenyl)anilino)urea
SMILESNC(=O)NN(c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C13H13N3O2/c14-13(18)15-16(10-5-2-1-3-6-10)11-7-4-8-12(17)9-11/h1-9,17H,(H3,14,15,18)
InChIKeyNTXLRYCPJHNVMD-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.11
Rot. Bonds3

About (N-(3-hydroxyphenyl)anilino)urea

(N-(3-hydroxyphenyl)anilino)urea (PubChem CID 54130372) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (N-(3-hydroxyphenyl)anilino)urea.

Molecular Properties

Compound Name(N-(3-hydroxyphenyl)anilino)urea
PubChem CID54130372
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(N-(3-hydroxyphenyl)anilino)urea
SMILESNC(=O)NN(c1ccccc1)c1cccc(O)c1
InChIInChI=1S/C13H13N3O2/c14-13(18)15-16(10-5-2-1-3-6-10)11-7-4-8-12(17)9-11/h1-9,17H,(H3,14,15,18)
InChIKeyNTXLRYCPJHNVMD-UHFFFAOYSA-N
XLogP2.11
TPSA78.59 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 ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (N-(3-hydroxyphenyl)anilino)urea?
The IUPAC name of (N-(3-hydroxyphenyl)anilino)urea (CID 54130372) is (N-(3-hydroxyphenyl)anilino)urea.
What is the SMILES notation for (N-(3-hydroxyphenyl)anilino)urea?
The canonical SMILES for (N-(3-hydroxyphenyl)anilino)urea is NC(=O)NN(c1ccccc1)c1cccc(O)c1.
What is the InChIKey of (N-(3-hydroxyphenyl)anilino)urea?
The InChIKey is NTXLRYCPJHNVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-13(18)15-16(10-5-2-1-3-6-10)11-7-4-8-12(17)9-11/h1-9,17H,(H3,14,15,18).
What are the key properties of (N-(3-hydroxyphenyl)anilino)urea?
(N-(3-hydroxyphenyl)anilino)urea has a molecular weight of 243.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-(3-hydroxyphenyl)anilino)urea is sourced from PubChem (CID 54130372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).