1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea

C13H8Cl4N2O2 — CID 166984072

IUPAC1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea
SMILESO=C(Nc1ccccc1)Nc1c(Cl)c(Cl)c(O)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O2/c14-7-9(16)12(20)10(17)8(15)11(7)19-13(21)18-6-4-2-1-3-5-6/h1-5,20H,(H2,18,19,21)
InChIKeyLYXPLEGDYYTLEC-UHFFFAOYSA-N
MW366.03 g/mol
LogP5.65
Rot. Bonds2

About 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea

1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea (PubChem CID 166984072) has the molecular formula C13H8Cl4N2O2 and a molecular weight of 366.03 g/mol. Its IUPAC name is 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea
PubChem CID166984072
Molecular FormulaC13H8Cl4N2O2
Molecular Weight366.03 g/mol
Exact Mass363.93
IUPAC Name1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea
SMILESO=C(Nc1ccccc1)Nc1c(Cl)c(Cl)c(O)c(Cl)c1Cl
InChIInChI=1S/C13H8Cl4N2O2/c14-7-9(16)12(20)10(17)8(15)11(7)19-13(21)18-6-4-2-1-3-5-6/h1-5,20H,(H2,18,19,21)
InChIKeyLYXPLEGDYYTLEC-UHFFFAOYSA-N
XLogP5.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.03
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
1-anthracen-9-yl-3-phenylurea
CID 102213486
1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea
CID 21184737
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
3,4-dichloro-5-(phenylcarbamoylamino)benzoic acid
CID 91682686
1-[dichloro-(phenylcarbamoylamino)methyl]-3-phenylurea
CID 3516475
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
3,5-dichloro-N-(diaminomethylidene)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 23205948
1-anilino-3-(4-chlorophenyl)urea
CID 4167003

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea?
The IUPAC name of 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea (CID 166984072) is 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea.
What is the SMILES notation for 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea?
The canonical SMILES for 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea is O=C(Nc1ccccc1)Nc1c(Cl)c(Cl)c(O)c(Cl)c1Cl.
What is the InChIKey of 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea?
The InChIKey is LYXPLEGDYYTLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4N2O2/c14-7-9(16)12(20)10(17)8(15)11(7)19-13(21)18-6-4-2-1-3-5-6/h1-5,20H,(H2,18,19,21).
What are the key properties of 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea?
1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea has a molecular weight of 366.03 g/mol, XLogP of 5.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea is sourced from PubChem (CID 166984072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).