2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid

C18H16FNO3 — CID 175381872

IUPAC2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid
SMILESCC1(CC(=O)O)C(=O)N(Cc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H16FNO3/c1-18(10-16(21)22)14-7-2-3-8-15(14)20(17(18)23)11-12-5-4-6-13(19)9-12/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyPYOZXIDMIZTBTG-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.10
Rot. Bonds4

About 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid

2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid (PubChem CID 175381872) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid
PubChem CID175381872
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid
SMILESCC1(CC(=O)O)C(=O)N(Cc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C18H16FNO3/c1-18(10-16(21)22)14-7-2-3-8-15(14)20(17(18)23)11-12-5-4-6-13(19)9-12/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyPYOZXIDMIZTBTG-UHFFFAOYSA-N
XLogP3.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid (CID 175381872) is 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid is CC1(CC(=O)O)C(=O)N(Cc2cccc(F)c2)c2ccccc21.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid?
The InChIKey is PYOZXIDMIZTBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-18(10-16(21)22)14-7-2-3-8-15(14)20(17(18)23)11-12-5-4-6-13(19)9-12/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid?
2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid has a molecular weight of 313.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid is sourced from PubChem (CID 175381872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).