(3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one

C18H14Cl2F3NO — CID 141331270

IUPAC(3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1Cc1c(Cl)cc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C18H14Cl2F3NO/c19-15-8-12(10-1-3-13(4-2-10)18(21,22)23)9-16(20)14(15)7-11-5-6-24-17(11)25/h1-4,8-9,11H,5-7H2,(H,24,25)/t11-/m0/s1
InChIKeySTNJEGWZGVIVOS-NSHDSACASA-N
MW388.22 g/mol
LogP5.36
Rot. Bonds3

About (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one

(3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 141331270) has the molecular formula C18H14Cl2F3NO and a molecular weight of 388.22 g/mol. Its IUPAC name is (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID141331270
Molecular FormulaC18H14Cl2F3NO
Molecular Weight388.22 g/mol
Exact Mass387.04
IUPAC Name(3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1Cc1c(Cl)cc(-c2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C18H14Cl2F3NO/c19-15-8-12(10-1-3-13(4-2-10)18(21,22)23)9-16(20)14(15)7-11-5-6-24-17(11)25/h1-4,8-9,11H,5-7H2,(H,24,25)/t11-/m0/s1
InChIKeySTNJEGWZGVIVOS-NSHDSACASA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.22
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-one
CID 102622038
3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-1-(4,5,6,7-tetrahydro-1H-indazol-4-yl)pyrrolidin-2-one
CID 67316176
[4-[3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-2-oxopyrrolidin-1-yl]piperidin-1-yl] N-methylcarbamate
CID 66671733
3-[(2,6-dimethylphenyl)methyl]pyrrolidin-2-one
CID 70966416
3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one
CID 67317293
3-[[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one
CID 11383975
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one
CID 143301820
3-[(2-amino-6-chloro-3-pyridinyl)methyl]pyrrolidin-2-one
CID 177188747
[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]methanol
CID 22735329
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273
4-[3,5-dichloro-4-[[(3R)-1-morpholin-4-yl-2-oxopyrrolidin-3-yl]methyl]phenyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 66905271

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one (CID 141331270) is (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one is O=C1NCC[C@H]1Cc1c(Cl)cc(-c2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is STNJEGWZGVIVOS-NSHDSACASA-N. The full InChI is InChI=1S/C18H14Cl2F3NO/c19-15-8-12(10-1-3-13(4-2-10)18(21,22)23)9-16(20)14(15)7-11-5-6-24-17(11)25/h1-4,8-9,11H,5-7H2,(H,24,25)/t11-/m0/s1.
What are the key properties of (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one?
(3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 388.22 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2,6-dichloro-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 141331270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).