(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one

C24H19F2NO3 — CID 94071830

IUPAC(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(N2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C24H19F2NO3/c1-15-7-11-18(12-8-15)27-21(17-9-13-19(14-10-17)30-24(25)26)20(22(28)23(27)29)16-5-3-2-4-6-16/h2-14,21,24,28H,1H3/t21-/m1/s1
InChIKeyLXHLRXSQFWIZIS-OAQYLSRUSA-N
MW407.42 g/mol
LogP5.65
Rot. Bonds5

About (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one

(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one (PubChem CID 94071830) has the molecular formula C24H19F2NO3 and a molecular weight of 407.42 g/mol. Its IUPAC name is (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
PubChem CID94071830
Molecular FormulaC24H19F2NO3
Molecular Weight407.42 g/mol
Exact Mass407.13
IUPAC Name(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
SMILESCc1ccc(N2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C24H19F2NO3/c1-15-7-11-18(12-8-15)27-21(17-9-13-19(14-10-17)30-24(25)26)20(22(28)23(27)29)16-5-3-2-4-6-16/h2-14,21,24,28H,1H3/t21-/m1/s1
InChIKeyLXHLRXSQFWIZIS-OAQYLSRUSA-N
XLogP5.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774317
4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 94073198
1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774338
2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50743703
(2R)-2-(4-ethylphenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073400
(2R)-2-(2-chlorophenyl)-4-hydroxy-1,3-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 94073203
(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94073399
2-[4-(difluoromethoxy)phenyl]-1-[2-(2,3-dimethoxyphenyl)ethyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 50743716
(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073383
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 2868511
(2R)-3-(benzenesulfonyl)-4-hydroxy-1,2-bis(4-methylphenyl)-2H-pyrrol-5-one
CID 95052259
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one (CID 94071830) is (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one is Cc1ccc(N2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one?
The InChIKey is LXHLRXSQFWIZIS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19F2NO3/c1-15-7-11-18(12-8-15)27-21(17-9-13-19(14-10-17)30-24(25)26)20(22(28)23(27)29)16-5-3-2-4-6-16/h2-14,21,24,28H,1H3/t21-/m1/s1.
What are the key properties of (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one?
(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one has a molecular weight of 407.42 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 94071830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).