1-chloro-3-hydroxy-1-phenylurea

C7H7ClN2O2 — CID 88781351

IUPAC1-chloro-3-hydroxy-1-phenylurea
SMILESO=C(NO)N(Cl)c1ccccc1
InChIInChI=1S/C7H7ClN2O2/c8-10(7(11)9-12)6-4-2-1-3-5-6/h1-5,12H,(H,9,11)
InChIKeyUQVGRQJFZPLAHQ-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.75
Rot. Bonds1

About 1-chloro-3-hydroxy-1-phenylurea

1-chloro-3-hydroxy-1-phenylurea (PubChem CID 88781351) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 1-chloro-3-hydroxy-1-phenylurea.

Molecular Properties

Compound Name1-chloro-3-hydroxy-1-phenylurea
PubChem CID88781351
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name1-chloro-3-hydroxy-1-phenylurea
SMILESO=C(NO)N(Cl)c1ccccc1
InChIInChI=1S/C7H7ClN2O2/c8-10(7(11)9-12)6-4-2-1-3-5-6/h1-5,12H,(H,9,11)
InChIKeyUQVGRQJFZPLAHQ-UHFFFAOYSA-N
XLogP1.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-3-hydroxy-1-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

3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
1-hydroxy-3-(N-phenylanilino)urea
CID 23526175
bicyclo[4.1.0]hepta-1,3,5-trien-7-one;methyl N-chloro-N-phenylcarbamate
CID 21437821
2-[4-[chloro(phenylcarbamoyl)amino]phenoxy]-2-methylpropanoic acid
CID 88595241
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
1-N,4-N-dihydroxy-2,5-bis(N-phenylanilino)benzene-1,4-dicarboxamide
CID 167363539
N-(carbamoylcarbamoyl)-N-phenylacetamide
CID 165346153
1-chloro-1-methyl-3-phenylurea
CID 173170547
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide
CID 87958715
cobalt;bis(diphenylcarbamic acid)
CID 155679078
2-[chloro-(4-phenylphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 91338631

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-hydroxy-1-phenylurea?
The IUPAC name of 1-chloro-3-hydroxy-1-phenylurea (CID 88781351) is 1-chloro-3-hydroxy-1-phenylurea.
What is the SMILES notation for 1-chloro-3-hydroxy-1-phenylurea?
The canonical SMILES for 1-chloro-3-hydroxy-1-phenylurea is O=C(NO)N(Cl)c1ccccc1.
What is the InChIKey of 1-chloro-3-hydroxy-1-phenylurea?
The InChIKey is UQVGRQJFZPLAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-10(7(11)9-12)6-4-2-1-3-5-6/h1-5,12H,(H,9,11).
What are the key properties of 1-chloro-3-hydroxy-1-phenylurea?
1-chloro-3-hydroxy-1-phenylurea has a molecular weight of 186.60 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-hydroxy-1-phenylurea is sourced from PubChem (CID 88781351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).