(3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one

C20H22ClNO — CID 131848319

IUPAC(3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one
SMILESCCc1cccc(N2C[C@@H](CC)[C@H](c3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C20H22ClNO/c1-3-14-7-5-10-18(11-14)22-13-15(4-2)19(20(22)23)16-8-6-9-17(21)12-16/h5-12,15,19H,3-4,13H2,1-2H3/t15-,19-/m1/s1
InChIKeyGARSKUDTDYBNFY-DNVCBOLYSA-N
MW327.86 g/mol
LogP5.06
Rot. Bonds4

About (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one

(3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one (PubChem CID 131848319) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one
PubChem CID131848319
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name(3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one
SMILESCCc1cccc(N2C[C@@H](CC)[C@H](c3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C20H22ClNO/c1-3-14-7-5-10-18(11-14)22-13-15(4-2)19(20(22)23)16-8-6-9-17(21)12-16/h5-12,15,19H,3-4,13H2,1-2H3/t15-,19-/m1/s1
InChIKeyGARSKUDTDYBNFY-DNVCBOLYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.86
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 19097806
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71341015
3-(3-chlorophenyl)-1-(3-ethylphenyl)piperazine
CID 126676346
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
3-bromo-1-(3-ethylphenyl)pyrrolidin-2-one
CID 63789981
1-(3-ethylphenyl)-1,4-diazepane-2,5-dione
CID 64959098
2-(3-ethylphenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944180
1-(3-ethylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959166
(3S)-3-acetyl-1-(3-ethylphenyl)piperidin-2-one
CID 125457469
5-chloro-2-(3-ethylphenyl)isoindole-1,3-dione
CID 137446567
2-amino-3-[[3-[4-(3-chlorophenyl)-2-oxopyrrolidin-1-yl]phenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one
CID 78165219
N-(2-chloro-4-methylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946788

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one (CID 131848319) is (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one is CCc1cccc(N2C[C@@H](CC)[C@H](c3cccc(Cl)c3)C2=O)c1.
What is the InChIKey of (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one?
The InChIKey is GARSKUDTDYBNFY-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H22ClNO/c1-3-14-7-5-10-18(11-14)22-13-15(4-2)19(20(22)23)16-8-6-9-17(21)12-16/h5-12,15,19H,3-4,13H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one?
(3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one has a molecular weight of 327.86 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(3-chlorophenyl)-4-ethyl-1-(3-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 131848319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).