[3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

C18H18Cl2N2O2 — CID 54153604

IUPAC[3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(CCO)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H18Cl2N2O2/c19-14-5-4-13(11-15(14)20)18(7-10-23)6-9-22(12-18)17(24)16-3-1-2-8-21-16/h1-5,8,11,23H,6-7,9-10,12H2
InChIKeyOJLUGILITBISPE-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.55
Rot. Bonds4

About [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone

[3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 54153604) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID54153604
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name[3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(CCO)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H18Cl2N2O2/c19-14-5-4-13(11-15(14)20)18(7-10-23)6-9-22(12-18)17(24)16-3-1-2-8-21-16/h1-5,8,11,23H,6-7,9-10,12H2
InChIKeyOJLUGILITBISPE-UHFFFAOYSA-N
XLogP3.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 54153604) is [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(CCO)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is OJLUGILITBISPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-14-5-4-13(11-15(14)20)18(7-10-23)6-9-22(12-18)17(24)16-3-1-2-8-21-16/h1-5,8,11,23H,6-7,9-10,12H2.
What are the key properties of [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 365.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 54153604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).