(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione

C18H16FNO3 — CID 98176099

IUPAC(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)C[C@H](c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C18H16FNO3/c1-23-15-7-5-12(6-8-15)11-20-17(21)10-16(18(20)22)13-3-2-4-14(19)9-13/h2-9,16H,10-11H2,1H3/t16-/m1/s1
InChIKeyPWBFSTVOPQKIKF-MRXNPFEDSA-N
MW313.33 g/mol
LogP2.88
Rot. Bonds4

About (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione

(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 98176099) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID98176099
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(CN2C(=O)C[C@H](c3cccc(F)c3)C2=O)cc1
InChIInChI=1S/C18H16FNO3/c1-23-15-7-5-12(6-8-15)11-20-17(21)10-16(18(20)22)13-3-2-4-14(19)9-13/h2-9,16H,10-11H2,1H3/t16-/m1/s1
InChIKeyPWBFSTVOPQKIKF-MRXNPFEDSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 98108371
1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 177405211
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
benzyl 1-[(4-methoxyphenyl)methyl]-6-methyl-4-(3-methylphenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854146
3-[3-[4-[1-(6-bromo-3-pyridinyl)piperidin-4-yl]piperidin-1-yl]phenyl]-1-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 175959328
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-phenylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione
CID 7358149
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 7305351
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
CID 102583572
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 98176099) is (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione is COc1ccc(CN2C(=O)C[C@H](c3cccc(F)c3)C2=O)cc1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is PWBFSTVOPQKIKF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-23-15-7-5-12(6-8-15)11-20-17(21)10-16(18(20)22)13-3-2-4-14(19)9-13/h2-9,16H,10-11H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 313.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 98176099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).