2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile

C18H15ClN2O2 — CID 59485674

IUPAC2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile
SMILESN#CCOc1cccc([C@H]2CCC(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H15ClN2O2/c19-14-4-6-15(7-5-14)21-17(8-9-18(21)22)13-2-1-3-16(12-13)23-11-10-20/h1-7,12,17H,8-9,11H2/t17-/m1/s1
InChIKeyNUQYOGBQEKCNSL-QGZVFWFLSA-N
MW326.78 g/mol
LogP4.11
Rot. Bonds4

About 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile

2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile (PubChem CID 59485674) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile
PubChem CID59485674
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile
SMILESN#CCOc1cccc([C@H]2CCC(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H15ClN2O2/c19-14-4-6-15(7-5-14)21-17(8-9-18(21)22)13-2-1-3-16(12-13)23-11-10-20/h1-7,12,17H,8-9,11H2/t17-/m1/s1
InChIKeyNUQYOGBQEKCNSL-QGZVFWFLSA-N
XLogP4.11
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile (CID 59485674) is 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile is N#CCOc1cccc([C@H]2CCC(=O)N2c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile?
The InChIKey is NUQYOGBQEKCNSL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-4-6-15(7-5-14)21-17(8-9-18(21)22)13-2-1-3-16(12-13)23-11-10-20/h1-7,12,17H,8-9,11H2/t17-/m1/s1.
What are the key properties of 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile?
2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile has a molecular weight of 326.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile is sourced from PubChem (CID 59485674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).