(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one

C15H19F2NO3 — CID 142493849

IUPAC(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(C(C)(C)CO)C2)c(F)c1
InChIInChI=1S/C15H19F2NO3/c1-15(2,8-19)18-7-9(4-13(18)20)14-11(16)5-10(21-3)6-12(14)17/h5-6,9,19H,4,7-8H2,1-3H3/t9-/m0/s1
InChIKeyWNDCULQRTNXJKW-VIFPVBQESA-N
MW299.32 g/mol
LogP2.06
Rot. Bonds4

About (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one

(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one (PubChem CID 142493849) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one
PubChem CID142493849
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one
SMILESCOc1cc(F)c([C@H]2CC(=O)N(C(C)(C)CO)C2)c(F)c1
InChIInChI=1S/C15H19F2NO3/c1-15(2,8-19)18-7-9(4-13(18)20)14-11(16)5-10(21-3)6-12(14)17/h5-6,9,19H,4,7-8H2,1-3H3/t9-/m0/s1
InChIKeyWNDCULQRTNXJKW-VIFPVBQESA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-3-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyrimidin-4-one
CID 162437304
(2E,4E)-2-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-5-[ethyl(methyl)amino]-4-fluoropenta-2,4-dienal
CID 162437392
(4R)-1-(6-cyclopropyl-4-methoxy-2-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 170370379
2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol
CID 139475766
1-(2-amino-3-hydroxypropyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]pyridin-2-one
CID 162437799
tert-butyl 2-[(3S)-1-(cyclopropylmethyl)-4-(2,6-difluoro-4-methoxyphenyl)-6-oxopiperidin-3-yl]acetate
CID 157347586
4-(2,6-difluoro-4-methoxyphenyl)-1-(1-ethanimidoyl-2-imino-3-pyridinyl)pyrrolidin-2-one
CID 162437881
3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole
CID 134531950
3-[(4R)-4-(2-fluoro-4-methoxy-6-methylphenyl)-2-oxopyrrolidin-1-yl]-1-methylpyridin-2-one
CID 170367470
1-tert-butylsulfonyl-2-(2,6-difluoro-4-methoxyphenyl)aziridine
CID 163863964
carbon dioxide;(4R)-4-(2,6-difluoro-4-methylphenyl)-1-methoxypyrrolidin-2-one
CID 161397937
1-tert-butylsulfinyl-2-(2,6-difluoro-4-methoxyphenyl)aziridine
CID 166897808

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one (CID 142493849) is (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one is COc1cc(F)c([C@H]2CC(=O)N(C(C)(C)CO)C2)c(F)c1.
What is the InChIKey of (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one?
The InChIKey is WNDCULQRTNXJKW-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-15(2,8-19)18-7-9(4-13(18)20)14-11(16)5-10(21-3)6-12(14)17/h5-6,9,19H,4,7-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one?
(4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one has a molecular weight of 299.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 142493849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).