[3-[(2-hydroxyphenyl)methylamino]phenyl]urea

C14H15N3O2 — CID 43744546

IUPAC[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NCc2ccccc2O)c1
InChIInChI=1S/C14H15N3O2/c15-14(19)17-12-6-3-5-11(8-12)16-9-10-4-1-2-7-13(10)18/h1-8,16,18H,9H2,(H3,15,17,19)
InChIKeyHHBLPAKNZRARIM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.49
Rot. Bonds4

About [3-[(2-hydroxyphenyl)methylamino]phenyl]urea

[3-[(2-hydroxyphenyl)methylamino]phenyl]urea (PubChem CID 43744546) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is [3-[(2-hydroxyphenyl)methylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
PubChem CID43744546
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NCc2ccccc2O)c1
InChIInChI=1S/C14H15N3O2/c15-14(19)17-12-6-3-5-11(8-12)16-9-10-4-1-2-7-13(10)18/h1-8,16,18H,9H2,(H3,15,17,19)
InChIKeyHHBLPAKNZRARIM-UHFFFAOYSA-N
XLogP2.49
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-hydroxyphenyl)methylamino]phenyl]urea?
The IUPAC name of [3-[(2-hydroxyphenyl)methylamino]phenyl]urea (CID 43744546) is [3-[(2-hydroxyphenyl)methylamino]phenyl]urea.
What is the SMILES notation for [3-[(2-hydroxyphenyl)methylamino]phenyl]urea?
The canonical SMILES for [3-[(2-hydroxyphenyl)methylamino]phenyl]urea is NC(=O)Nc1cccc(NCc2ccccc2O)c1.
What is the InChIKey of [3-[(2-hydroxyphenyl)methylamino]phenyl]urea?
The InChIKey is HHBLPAKNZRARIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-14(19)17-12-6-3-5-11(8-12)16-9-10-4-1-2-7-13(10)18/h1-8,16,18H,9H2,(H3,15,17,19).
What are the key properties of [3-[(2-hydroxyphenyl)methylamino]phenyl]urea?
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea has a molecular weight of 257.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-hydroxyphenyl)methylamino]phenyl]urea is sourced from PubChem (CID 43744546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).