(5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one

C20H22Cl2N2O3 — CID 67398531

IUPAC(5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one
SMILESCCOc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(OC)n2)cc1Cl
InChIInChI=1S/C20H22Cl2N2O3/c1-3-27-18-8-4-12(10-16(18)22)14(11-13-5-9-19(25)23-13)17-7-6-15(21)20(24-17)26-2/h4,6-8,10,13-14H,3,5,9,11H2,1-2H3,(H,23,25)/t13-,14?/m1/s1
InChIKeyMGNDNTBELZJDJP-KWCCSABGSA-N
MW409.31 g/mol
LogP4.60
Rot. Bonds7

About (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one

(5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one (PubChem CID 67398531) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one
PubChem CID67398531
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC Name(5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one
SMILESCCOc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(OC)n2)cc1Cl
InChIInChI=1S/C20H22Cl2N2O3/c1-3-27-18-8-4-12(10-16(18)22)14(11-13-5-9-19(25)23-13)17-7-6-15(21)20(24-17)26-2/h4,6-8,10,13-14H,3,5,9,11H2,1-2H3,(H,23,25)/t13-,14?/m1/s1
InChIKeyMGNDNTBELZJDJP-KWCCSABGSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]methyl]pyrrolidin-2-one
CID 114281552
(5R)-5-[2-[3-chloro-4-(difluoromethyl)phenyl]-2-(5-cyclopropyl-2-pyridinyl)ethyl]pyrrolidin-2-one
CID 151413167
3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one
CID 58452561
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 104687160
(5R)-5-[2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398590
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
2-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)ethanamine
CID 83986652
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
3-chloro-6-[1-(4-cyclopropylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
CID 58452387

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one (CID 67398531) is (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one is CCOc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(Cl)c(OC)n2)cc1Cl.
What is the InChIKey of (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one?
The InChIKey is MGNDNTBELZJDJP-KWCCSABGSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-3-27-18-8-4-12(10-16(18)22)14(11-13-5-9-19(25)23-13)17-7-6-15(21)20(24-17)26-2/h4,6-8,10,13-14H,3,5,9,11H2,1-2H3,(H,23,25)/t13-,14?/m1/s1.
What are the key properties of (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one?
(5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one has a molecular weight of 409.31 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(3-chloro-4-ethoxyphenyl)-2-(5-chloro-6-methoxy-2-pyridinyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 67398531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).