[4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid

C13H9ClFNO2 — CID 121375027

IUPAC[4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO2/c14-9-3-6-12(16-13(17)18)11(7-9)8-1-4-10(15)5-2-8/h1-7,16H,(H,17,18)
InChIKeyJYXYVSDPLLKKCO-UHFFFAOYSA-N
MW265.67 g/mol
LogP4.24
Rot. Bonds2

About [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid

[4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid (PubChem CID 121375027) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid
PubChem CID121375027
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name[4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H9ClFNO2/c14-9-3-6-12(16-13(17)18)11(7-9)8-1-4-10(15)5-2-8/h1-7,16H,(H,17,18)
InChIKeyJYXYVSDPLLKKCO-UHFFFAOYSA-N
XLogP4.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid?
The IUPAC name of [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid (CID 121375027) is [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid.
What is the SMILES notation for [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid?
The canonical SMILES for [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid is O=C(O)Nc1ccc(Cl)cc1-c1ccc(F)cc1.
What is the InChIKey of [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid?
The InChIKey is JYXYVSDPLLKKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-9-3-6-12(16-13(17)18)11(7-9)8-1-4-10(15)5-2-8/h1-7,16H,(H,17,18).
What are the key properties of [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid?
[4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid has a molecular weight of 265.67 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(4-fluorophenyl)phenyl]carbamic acid is sourced from PubChem (CID 121375027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).