(4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one

C24H20Cl2N2O2 — CID 89146166

IUPAC(4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one
SMILESC=C(N)c1cccc(N2C[C@@H](c3ccc(Cl)c(Oc4ccccc4Cl)c3)CC2=O)c1
InChIInChI=1S/C24H20Cl2N2O2/c1-15(27)16-5-4-6-19(11-16)28-14-18(13-24(28)29)17-9-10-21(26)23(12-17)30-22-8-3-2-7-20(22)25/h2-12,18H,1,13-14,27H2/t18-/m0/s1
InChIKeyRDLGYKBKBYUXRV-SFHVURJKSA-N
MW439.34 g/mol
LogP6.24
Rot. Bonds5

About (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one

(4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one (PubChem CID 89146166) has the molecular formula C24H20Cl2N2O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one
PubChem CID89146166
Molecular FormulaC24H20Cl2N2O2
Molecular Weight439.34 g/mol
Exact Mass438.09
IUPAC Name(4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one
SMILESC=C(N)c1cccc(N2C[C@@H](c3ccc(Cl)c(Oc4ccccc4Cl)c3)CC2=O)c1
InChIInChI=1S/C24H20Cl2N2O2/c1-15(27)16-5-4-6-19(11-16)28-14-18(13-24(28)29)17-9-10-21(26)23(12-17)30-22-8-3-2-7-20(22)25/h2-12,18H,1,13-14,27H2/t18-/m0/s1
InChIKeyRDLGYKBKBYUXRV-SFHVURJKSA-N
XLogP6.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3,4-dicyclopentyloxyphenyl)pyrrolidin-2-one
CID 89146208
(4R)-4-[4-amino-3-(2-amino-6-methylphenoxy)phenyl]-1-[3-(1-aminoethenyl)phenyl]pyrrolidin-2-one
CID 89146173
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-(3-cyclopentyloxy-4-phenoxyphenyl)pyrrolidin-2-one
CID 89203877
3-[(4R)-4-[4-chloro-3-(3-chloro-2-cyano-6-methylphenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide;4-[(4R)-4-[3-(2-chloro-6-methylphenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(2-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide;4-[(4R)-4-[3-(3-chlorophenoxy)-4-cyanophenyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 158835860
2-[2-chloro-5-[(3R)-1-(3-ethenylphenyl)-5-oxopyrrolidin-3-yl]phenoxy]-4,6-difluorobenzonitrile
CID 89146140
1-(3-aminophenyl)-4-[3-(3-chlorophenoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 11742216
3-[4-[4-chloro-2-(3-chloro-2-cyanophenoxy)phenyl]-2-oxopyrrolidin-1-yl]benzamide
CID 70966702
2-[5-[(3R)-1-[4-amino-2-(hydroxymethyl)quinazolin-6-yl]-5-oxopyrrolidin-3-yl]-2-chlorophenoxy]-3-chlorobenzonitrile
CID 71052295
3-chloro-2-[2-chloro-5-[(3R)-1-(4-cyano-3-nitrophenyl)-5-oxopyrrolidin-3-yl]phenoxy]benzonitrile
CID 68954061
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzenecarboximidamide
CID 68831352
1-(3-aminophenyl)-4-[3-(2-ethoxyethoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 10248588
4-amino-6-[(4R)-4-[4-chloro-3-(2-cyano-6-methoxyphenoxy)phenyl]-2-oxopyrrolidin-1-yl]-N,N-dimethylquinazoline-2-carboxamide
CID 71052316

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one (CID 89146166) is (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one is C=C(N)c1cccc(N2C[C@@H](c3ccc(Cl)c(Oc4ccccc4Cl)c3)CC2=O)c1.
What is the InChIKey of (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one?
The InChIKey is RDLGYKBKBYUXRV-SFHVURJKSA-N. The full InChI is InChI=1S/C24H20Cl2N2O2/c1-15(27)16-5-4-6-19(11-16)28-14-18(13-24(28)29)17-9-10-21(26)23(12-17)30-22-8-3-2-7-20(22)25/h2-12,18H,1,13-14,27H2/t18-/m0/s1.
What are the key properties of (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one?
(4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one has a molecular weight of 439.34 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[3-(1-aminoethenyl)phenyl]-4-[4-chloro-3-(2-chlorophenoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 89146166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).