3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one

C20H23ClN2O2 — CID 58452561

IUPAC3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-12(2)13-3-5-14(6-4-13)16(11-15-7-10-19(24)22-15)18-9-8-17(21)20(25)23-18/h3-6,8-9,12,15-16H,7,10-11H2,1-2H3,(H,22,24)(H,23,25)/t15-,16?/m1/s1
InChIKeyYAMMYCJULCXGTH-AAFJCEBUSA-N
MW358.87 g/mol
LogP3.95
Rot. Bonds5

About 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one

3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one (PubChem CID 58452561) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one
PubChem CID58452561
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-12(2)13-3-5-14(6-4-13)16(11-15-7-10-19(24)22-15)18-9-8-17(21)20(25)23-18/h3-6,8-9,12,15-16H,7,10-11H2,1-2H3,(H,22,24)(H,23,25)/t15-,16?/m1/s1
InChIKeyYAMMYCJULCXGTH-AAFJCEBUSA-N
XLogP3.95
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-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

Related Compounds

CID 91895727
CID 91895727
CID 91895728
CID 91895728
CID 91895729
CID 91895729
CID 91895730
CID 91895730
CID 91895734
CID 91895734
CID 91895735
CID 91895735
CID 91895737
CID 91895737
CID 91895739
CID 91895739
CID 91895740
CID 91895740
CID 91895743
CID 91895743
CID 91895745
CID 91895745
CID 91895746
CID 91895746

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one (CID 58452561) is 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one is CC(C)c1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1.
What is the InChIKey of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one?
The InChIKey is YAMMYCJULCXGTH-AAFJCEBUSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-12(2)13-3-5-14(6-4-13)16(11-15-7-10-19(24)22-15)18-9-8-17(21)20(25)23-18/h3-6,8-9,12,15-16H,7,10-11H2,1-2H3,(H,22,24)(H,23,25)/t15-,16?/m1/s1.
What are the key properties of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one?
3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one has a molecular weight of 358.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).