1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one

C23H17ClFNO3 — CID 2914744

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C23H17ClFNO3/c24-19-7-3-1-5-16(19)14-26-20-8-4-2-6-18(20)23(29,22(26)28)13-21(27)15-9-11-17(25)12-10-15/h1-12,29H,13-14H2
InChIKeyQONNOUNVLDHJOJ-UHFFFAOYSA-N
MW409.84 g/mol
LogP4.49
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one

1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one (PubChem CID 2914744) has the molecular formula C23H17ClFNO3 and a molecular weight of 409.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
PubChem CID2914744
Molecular FormulaC23H17ClFNO3
Molecular Weight409.84 g/mol
Exact Mass409.09
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C23H17ClFNO3/c24-19-7-3-1-5-16(19)14-26-20-8-4-2-6-18(20)23(29,22(26)28)13-21(27)15-9-11-17(25)12-10-15/h1-12,29H,13-14H2
InChIKeyQONNOUNVLDHJOJ-UHFFFAOYSA-N
XLogP4.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one (CID 2914744) is 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one is O=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The InChIKey is QONNOUNVLDHJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO3/c24-19-7-3-1-5-16(19)14-26-20-8-4-2-6-18(20)23(29,22(26)28)13-21(27)15-9-11-17(25)12-10-15/h1-12,29H,13-14H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one has a molecular weight of 409.84 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 2914744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).