4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one

C14H13Cl2F2NO2 — CID 170335384

IUPAC4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one
SMILESO=C1CC(c2c(O)ccc(Cl)c2Cl)CN1C1CC(F)(F)C1
InChIInChI=1S/C14H13Cl2F2NO2/c15-9-1-2-10(20)12(13(9)16)7-3-11(21)19(6-7)8-4-14(17,18)5-8/h1-2,7-8,20H,3-6H2
InChIKeyOSAUSEQFJHYAEA-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.81
Rot. Bonds2

About 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one

4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one (PubChem CID 170335384) has the molecular formula C14H13Cl2F2NO2 and a molecular weight of 336.17 g/mol. Its IUPAC name is 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one
PubChem CID170335384
Molecular FormulaC14H13Cl2F2NO2
Molecular Weight336.17 g/mol
Exact Mass335.03
IUPAC Name4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one
SMILESO=C1CC(c2c(O)ccc(Cl)c2Cl)CN1C1CC(F)(F)C1
InChIInChI=1S/C14H13Cl2F2NO2/c15-9-1-2-10(20)12(13(9)16)7-3-11(21)19(6-7)8-4-14(17,18)5-8/h1-2,7-8,20H,3-6H2
InChIKeyOSAUSEQFJHYAEA-UHFFFAOYSA-N
XLogP3.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one (CID 170335384) is 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one is O=C1CC(c2c(O)ccc(Cl)c2Cl)CN1C1CC(F)(F)C1.
What is the InChIKey of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one?
The InChIKey is OSAUSEQFJHYAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F2NO2/c15-9-1-2-10(20)12(13(9)16)7-3-11(21)19(6-7)8-4-14(17,18)5-8/h1-2,7-8,20H,3-6H2.
What are the key properties of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one?
4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one has a molecular weight of 336.17 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one is sourced from PubChem (CID 170335384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).