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

C13H13N3O2 — CID 5203163

IUPAC1-(4-amino-2-hydroxyphenyl)-3-phenylurea
SMILESNc1ccc(NC(=O)Nc2ccccc2)c(O)c1
InChIInChI=1S/C13H13N3O2/c14-9-6-7-11(12(17)8-9)16-13(18)15-10-4-2-1-3-5-10/h1-8,17H,14H2,(H2,15,16,18)
InChIKeyCPWUEGSLUBOUGX-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.62
Rot. Bonds2

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

1-(4-amino-2-hydroxyphenyl)-3-phenylurea (PubChem CID 5203163) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(4-amino-2-hydroxyphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-amino-2-hydroxyphenyl)-3-phenylurea
PubChem CID5203163
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-(4-amino-2-hydroxyphenyl)-3-phenylurea
SMILESNc1ccc(NC(=O)Nc2ccccc2)c(O)c1
InChIInChI=1S/C13H13N3O2/c14-9-6-7-11(12(17)8-9)16-13(18)15-10-4-2-1-3-5-10/h1-8,17H,14H2,(H2,15,16,18)
InChIKeyCPWUEGSLUBOUGX-UHFFFAOYSA-N
XLogP2.62
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.62
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'}

Analyze 1-(4-amino-2-hydroxyphenyl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sb 225002
CID 3854666
N-(3-Hydroxyphenyl)-N'-phenylthiourea
CID 853760
m-Hydroxyphenylurea
CID 12796
1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea
CID 3618472
4-(N'-phenylureido)phenol
CID 4447317
N-(4-Amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutyramide
CID 70060
N-(2-hydroxy-4-nitrophenyl) N'-(2-chlorophenyl)urea
CID 9883044
N-(2-hydroxy-4-nitrophenyl)-N'-(2-ethylphenyl)urea
CID 21184795
(2-Hydroxyphenyl)urea
CID 70964
1-(4-Fluorophenyl)-3-(3-hydroxyphenyl)urea
CID 310363
3-(3-Hydroxyphenyl)-1-phenylurea
CID 3614600
1-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-3-(2-hydroxyphenyl)urea
CID 921347

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-hydroxyphenyl)-3-phenylurea?
The IUPAC name of 1-(4-amino-2-hydroxyphenyl)-3-phenylurea (CID 5203163) is 1-(4-amino-2-hydroxyphenyl)-3-phenylurea.
What is the SMILES notation for 1-(4-amino-2-hydroxyphenyl)-3-phenylurea?
The canonical SMILES for 1-(4-amino-2-hydroxyphenyl)-3-phenylurea is Nc1ccc(NC(=O)Nc2ccccc2)c(O)c1.
What is the InChIKey of 1-(4-amino-2-hydroxyphenyl)-3-phenylurea?
The InChIKey is CPWUEGSLUBOUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-9-6-7-11(12(17)8-9)16-13(18)15-10-4-2-1-3-5-10/h1-8,17H,14H2,(H2,15,16,18).
What are the key properties of 1-(4-amino-2-hydroxyphenyl)-3-phenylurea?
1-(4-amino-2-hydroxyphenyl)-3-phenylurea has a molecular weight of 243.27 g/mol, XLogP of 2.62, 2 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-phenylurea is sourced from PubChem (CID 5203163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).