2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid

C19H15FN2O3 — CID 175381864

IUPAC2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid
SMILESC[C@]1(CC(=O)O)C(=O)N(Cc2ccc(C#N)cc2F)c2ccccc21
InChIInChI=1S/C19H15FN2O3/c1-19(9-17(23)24)14-4-2-3-5-16(14)22(18(19)25)11-13-7-6-12(10-21)8-15(13)20/h2-8H,9,11H2,1H3,(H,23,24)/t19-/m1/s1
InChIKeyNQFPPSUGOLTUGZ-LJQANCHMSA-N
MW338.34 g/mol
LogP2.98
Rot. Bonds4

About 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid

2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid (PubChem CID 175381864) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid
PubChem CID175381864
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid
SMILESC[C@]1(CC(=O)O)C(=O)N(Cc2ccc(C#N)cc2F)c2ccccc21
InChIInChI=1S/C19H15FN2O3/c1-19(9-17(23)24)14-4-2-3-5-16(14)22(18(19)25)11-13-7-6-12(10-21)8-15(13)20/h2-8H,9,11H2,1H3,(H,23,24)/t19-/m1/s1
InChIKeyNQFPPSUGOLTUGZ-LJQANCHMSA-N
XLogP2.98
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid (CID 175381864) is 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid is C[C@]1(CC(=O)O)C(=O)N(Cc2ccc(C#N)cc2F)c2ccccc21.
What is the InChIKey of 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid?
The InChIKey is NQFPPSUGOLTUGZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-19(9-17(23)24)14-4-2-3-5-16(14)22(18(19)25)11-13-7-6-12(10-21)8-15(13)20/h2-8H,9,11H2,1H3,(H,23,24)/t19-/m1/s1.
What are the key properties of 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid?
2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid has a molecular weight of 338.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(4-cyano-2-fluorophenyl)methyl]-3-methyl-2-oxoindol-3-yl]acetic acid is sourced from PubChem (CID 175381864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).