1-(4-amino-2-hydroxyphenyl)-3-benzylurea

C14H15N3O2 — CID 15553207

IUPAC1-(4-amino-2-hydroxyphenyl)-3-benzylurea
SMILESNc1ccc(NC(=O)NCc2ccccc2)c(O)c1
InChIInChI=1S/C14H15N3O2/c15-11-6-7-12(13(18)8-11)17-14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9,15H2,(H2,16,17,19)
InChIKeyVZRUYIYIYDLEII-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.30
Rot. Bonds3

About 1-(4-amino-2-hydroxyphenyl)-3-benzylurea

1-(4-amino-2-hydroxyphenyl)-3-benzylurea (PubChem CID 15553207) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-amino-2-hydroxyphenyl)-3-benzylurea.

Molecular Properties

Compound Name1-(4-amino-2-hydroxyphenyl)-3-benzylurea
PubChem CID15553207
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(4-amino-2-hydroxyphenyl)-3-benzylurea
SMILESNc1ccc(NC(=O)NCc2ccccc2)c(O)c1
InChIInChI=1S/C14H15N3O2/c15-11-6-7-12(13(18)8-11)17-14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9,15H2,(H2,16,17,19)
InChIKeyVZRUYIYIYDLEII-UHFFFAOYSA-N
XLogP2.30
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(2,4-dihydroxyphenyl)urea
CID 69011055
1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea
CID 15645616
1-(5-amino-2-methoxyphenyl)-3-benzylurea
CID 107652897
1-(2-aminophenyl)-3-benzylurea
CID 86135193
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968
3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833448
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-hydroxyphenyl)-3-benzylurea?
The IUPAC name of 1-(4-amino-2-hydroxyphenyl)-3-benzylurea (CID 15553207) is 1-(4-amino-2-hydroxyphenyl)-3-benzylurea.
What is the SMILES notation for 1-(4-amino-2-hydroxyphenyl)-3-benzylurea?
The canonical SMILES for 1-(4-amino-2-hydroxyphenyl)-3-benzylurea is Nc1ccc(NC(=O)NCc2ccccc2)c(O)c1.
What is the InChIKey of 1-(4-amino-2-hydroxyphenyl)-3-benzylurea?
The InChIKey is VZRUYIYIYDLEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-11-6-7-12(13(18)8-11)17-14(19)16-9-10-4-2-1-3-5-10/h1-8,18H,9,15H2,(H2,16,17,19).
What are the key properties of 1-(4-amino-2-hydroxyphenyl)-3-benzylurea?
1-(4-amino-2-hydroxyphenyl)-3-benzylurea has a molecular weight of 257.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-hydroxyphenyl)-3-benzylurea is sourced from PubChem (CID 15553207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).