1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea

C13H9Cl3N2O2 — CID 64788304

IUPAC1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(O)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O2/c14-9-3-1-7(5-10(9)15)17-13(20)18-8-2-4-12(19)11(16)6-8/h1-6,19H,(H2,17,18,20)
InChIKeyGPFQVNDSFZRFNC-UHFFFAOYSA-N
MW331.59 g/mol
LogP5.00
Rot. Bonds2

About 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea

1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 64788304) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID64788304
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(O)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O2/c14-9-3-1-7(5-10(9)15)17-13(20)18-8-2-4-12(19)11(16)6-8/h1-6,19H,(H2,17,18,20)
InChIKeyGPFQVNDSFZRFNC-UHFFFAOYSA-N
XLogP5.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea 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

1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 99831962
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053
1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea
CID 99832161
1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
CID 139743679
1-(2-aminoethyl)-3-(3-chloro-4-hydroxyphenyl)urea
CID 66653179
methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea (CID 64788304) is 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(O)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is GPFQVNDSFZRFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c14-9-3-1-7(5-10(9)15)17-13(20)18-8-2-4-12(19)11(16)6-8/h1-6,19H,(H2,17,18,20).
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea?
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 331.59 g/mol, XLogP of 5.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 64788304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).