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

C14H13Cl2F2NO2 — CID 163241105

IUPAC(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](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/t7-/m1/s1
InChIKeyOSAUSEQFJHYAEA-SSDOTTSWSA-N
MW336.17 g/mol
LogP3.81
Rot. Bonds2

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

(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one (PubChem CID 163241105) has the molecular formula C14H13Cl2F2NO2 and a molecular weight of 336.17 g/mol. Its IUPAC name is (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one
PubChem CID163241105
Molecular FormulaC14H13Cl2F2NO2
Molecular Weight336.17 g/mol
Exact Mass335.03
IUPAC Name(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](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/t7-/m1/s1
InChIKeyOSAUSEQFJHYAEA-SSDOTTSWSA-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

Analyze (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one (CID 163241105) is (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one is O=C1C[C@@H](c2c(O)ccc(Cl)c2Cl)CN1C1CC(F)(F)C1.
What is the InChIKey of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one?
The InChIKey is OSAUSEQFJHYAEA-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one?
(4S)-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 (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(3,3-difluorocyclobutyl)pyrrolidin-2-one is sourced from PubChem (CID 163241105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).