1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one

C24H20FNO3 — CID 3839147

IUPAC1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)cc1
InChIInChI=1S/C24H20FNO3/c1-16-10-12-17(13-11-16)22(27)14-24(29)19-7-3-5-9-21(19)26(23(24)28)15-18-6-2-4-8-20(18)25/h2-13,29H,14-15H2,1H3
InChIKeyUOVWHHITBYOMND-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.14
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one

1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one (PubChem CID 3839147) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
PubChem CID3839147
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)cc1
InChIInChI=1S/C24H20FNO3/c1-16-10-12-17(13-11-16)22(27)14-24(29)19-7-3-5-9-21(19)26(23(24)28)15-18-6-2-4-8-20(18)25/h2-13,29H,14-15H2,1H3
InChIKeyUOVWHHITBYOMND-UHFFFAOYSA-N
XLogP4.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one (CID 3839147) is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one?
The InChIKey is UOVWHHITBYOMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-16-10-12-17(13-11-16)22(27)14-24(29)19-7-3-5-9-21(19)26(23(24)28)15-18-6-2-4-8-20(18)25/h2-13,29H,14-15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one?
1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one has a molecular weight of 389.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one is sourced from PubChem (CID 3839147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).