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

C20H23ClN2O2 — CID 58452539

IUPAC3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one
SMILESCCCc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-2-3-13-4-6-14(7-5-13)16(12-15-8-11-19(24)22-15)18-10-9-17(21)20(25)23-18/h4-7,9-10,15-16H,2-3,8,11-12H2,1H3,(H,22,24)(H,23,25)/t15-,16?/m1/s1
InChIKeyDDOPFCPKDHNNKI-AAFJCEBUSA-N
MW358.87 g/mol
LogP3.78
Rot. Bonds6

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

3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one (PubChem CID 58452539) 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-propylphenyl)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one
PubChem CID58452539
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one
SMILESCCCc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(=O)[nH]2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-2-3-13-4-6-14(7-5-13)16(12-15-8-11-19(24)22-15)18-10-9-17(21)20(25)23-18/h4-7,9-10,15-16H,2-3,8,11-12H2,1H3,(H,22,24)(H,23,25)/t15-,16?/m1/s1
InChIKeyDDOPFCPKDHNNKI-AAFJCEBUSA-N
XLogP3.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one (CID 58452539) is 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one is CCCc1ccc(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-propylphenyl)ethyl]-1H-pyridin-2-one?
The InChIKey is DDOPFCPKDHNNKI-AAFJCEBUSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-2-3-13-4-6-14(7-5-13)16(12-15-8-11-19(24)22-15)18-10-9-17(21)20(25)23-18/h4-7,9-10,15-16H,2-3,8,11-12H2,1H3,(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-propylphenyl)ethyl]-1H-pyridin-2-one?
3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propylphenyl)ethyl]-1H-pyridin-2-one has a molecular weight of 358.87 g/mol, XLogP of 3.78, 6 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-propylphenyl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).