1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea

C13H10ClFN2O2 — CID 108871538

IUPAC1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1O
InChIInChI=1S/C13H10ClFN2O2/c14-9-7-8(5-6-10(9)15)16-13(19)17-11-3-1-2-4-12(11)18/h1-7,18H,(H2,16,17,19)
InChIKeyCGFNNVHYINATMH-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.83
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea

1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea (PubChem CID 108871538) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
PubChem CID108871538
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1O
InChIInChI=1S/C13H10ClFN2O2/c14-9-7-8(5-6-10(9)15)16-13(19)17-11-3-1-2-4-12(11)18/h1-7,18H,(H2,16,17,19)
InChIKeyCGFNNVHYINATMH-UHFFFAOYSA-N
XLogP3.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
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1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
CID 108868551
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-(3-chloro-4-fluorophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875348
1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416
1-(3-chloro-4-hydroxyphenyl)-3-(3-fluoro-4-pyridinyl)urea
CID 99832161
1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
CID 71013470
N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea (CID 108871538) is 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea is O=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea?
The InChIKey is CGFNNVHYINATMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-9-7-8(5-6-10(9)15)16-13(19)17-11-3-1-2-4-12(11)18/h1-7,18H,(H2,16,17,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea?
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea has a molecular weight of 280.69 g/mol, XLogP of 3.83, 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-fluorophenyl)-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 108871538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).