5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one

C17H15Cl2NO2 — CID 155805947

IUPAC5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one
SMILESO=C1CCC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)N1
InChIInChI=1S/C17H15Cl2NO2/c18-13-5-1-11(2-6-13)17(12-3-7-14(19)8-4-12)22-16-10-9-15(21)20-16/h1-8,16-17H,9-10H2,(H,20,21)
InChIKeyGLKMFTCNPNJXKT-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.34
Rot. Bonds4

About 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one

5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one (PubChem CID 155805947) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one
PubChem CID155805947
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one
SMILESO=C1CCC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)N1
InChIInChI=1S/C17H15Cl2NO2/c18-13-5-1-11(2-6-13)17(12-3-7-14(19)8-4-12)22-16-10-9-15(21)20-16/h1-8,16-17H,9-10H2,(H,20,21)
InChIKeyGLKMFTCNPNJXKT-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenoxy)azetidin-2-one
CID 57320787
4-[(R)-(4-chlorophenyl)-phenylmethoxy]piperidine
CID 93492477
3-[(4-chlorophenyl)-phenylmethoxy]azetidine
CID 131865154
ethyl 3-(4-chlorophenyl)-3-(5-oxopyrrolidin-2-yl)propanoate
CID 70410005
ethane;5-methoxypyrrolidin-2-one
CID 145305312
(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
CID 95342739
5-[[(4-chlorophenyl)-cyclopropylmethyl]amino]piperidin-2-one
CID 63662235
3-[(4-chlorophenyl)-hydroxymethyl]cyclohex-2-en-1-one
CID 3765071
2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
CID 102576146
(5R,6S)-5-(3-chlorophenyl)-6-[(4-chlorophenyl)-cyclopropylmethyl]piperidin-2-one
CID 89482128
4-[(4-chlorophenyl)-(methylamino)methyl]cyclohexan-1-one
CID 116957064
3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione
CID 67749051

Frequently Asked Questions

What is the IUPAC name of 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one?
The IUPAC name of 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one (CID 155805947) is 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one.
What is the SMILES notation for 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one?
The canonical SMILES for 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one is O=C1CCC(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)N1.
What is the InChIKey of 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one?
The InChIKey is GLKMFTCNPNJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-13-5-1-11(2-6-13)17(12-3-7-14(19)8-4-12)22-16-10-9-15(21)20-16/h1-8,16-17H,9-10H2,(H,20,21).
What are the key properties of 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one?
5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one has a molecular weight of 336.22 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(4-chlorophenyl)methoxy]pyrrolidin-2-one is sourced from PubChem (CID 155805947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).