[4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid

C13H8ClF2NO2 — CID 121374980

IUPAC[4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H8ClF2NO2/c14-8-1-2-12(17-13(18)19)11(5-8)7-3-9(15)6-10(16)4-7/h1-6,17H,(H,18,19)
InChIKeyIPGGWAAVTYGPPY-UHFFFAOYSA-N
MW283.66 g/mol
LogP4.38
Rot. Bonds2

About [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid

[4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid (PubChem CID 121374980) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid
PubChem CID121374980
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name[4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H8ClF2NO2/c14-8-1-2-12(17-13(18)19)11(5-8)7-3-9(15)6-10(16)4-7/h1-6,17H,(H,18,19)
InChIKeyIPGGWAAVTYGPPY-UHFFFAOYSA-N
XLogP4.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid?
The IUPAC name of [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid (CID 121374980) is [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid.
What is the SMILES notation for [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid?
The canonical SMILES for [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid is O=C(O)Nc1ccc(Cl)cc1-c1cc(F)cc(F)c1.
What is the InChIKey of [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid?
The InChIKey is IPGGWAAVTYGPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c14-8-1-2-12(17-13(18)19)11(5-8)7-3-9(15)6-10(16)4-7/h1-6,17H,(H,18,19).
What are the key properties of [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid?
[4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid has a molecular weight of 283.66 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3,5-difluorophenyl)phenyl]carbamic acid is sourced from PubChem (CID 121374980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).