3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

C19H18Cl2FNO — CID 59741246

IUPAC3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESO=C1C(Cc2c(Cl)cccc2Cl)CCN1CCc1ccc(F)cc1
InChIInChI=1S/C19H18Cl2FNO/c20-17-2-1-3-18(21)16(17)12-14-9-11-23(19(14)24)10-8-13-4-6-15(22)7-5-13/h1-7,14H,8-12H2
InChIKeyDIKOWQZSJDIJOT-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.77
Rot. Bonds5

About 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one

3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (PubChem CID 59741246) has the molecular formula C19H18Cl2FNO and a molecular weight of 366.26 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
PubChem CID59741246
Molecular FormulaC19H18Cl2FNO
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
SMILESO=C1C(Cc2c(Cl)cccc2Cl)CCN1CCc1ccc(F)cc1
InChIInChI=1S/C19H18Cl2FNO/c20-17-2-1-3-18(21)16(17)12-14-9-11-23(19(14)24)10-8-13-4-6-15(22)7-5-13/h1-7,14H,8-12H2
InChIKeyDIKOWQZSJDIJOT-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741259
4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 141037067
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743
3-[(2-hydroxyphenyl)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 122209783
N-(2,6-dichlorophenyl)-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109157
1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837872
3-cyclopropyl-1-[2-(4-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64957044
8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane
CID 66786899
1-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 6497413
1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one
CID 54972964
3-[(4-methylcyclohepta-1,2,4,6-tetraen-1-yl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 143132409

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one (CID 59741246) is 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is O=C1C(Cc2c(Cl)cccc2Cl)CCN1CCc1ccc(F)cc1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
The InChIKey is DIKOWQZSJDIJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FNO/c20-17-2-1-3-18(21)16(17)12-14-9-11-23(19(14)24)10-8-13-4-6-15(22)7-5-13/h1-7,14H,8-12H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one?
3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one has a molecular weight of 366.26 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 59741246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).