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

C24H20FNO3 — CID 175312123

IUPAC2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid
SMILESO=C(O)C[C@@]1(Cc2cccc(F)c2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H20FNO3/c25-19-10-6-9-18(13-19)14-24(15-22(27)28)20-11-4-5-12-21(20)26(23(24)29)16-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,27,28)/t24-/m1/s1
InChIKeyALPGFDLLXFVJQT-XMMPIXPASA-N
MW389.43 g/mol
LogP4.33
Rot. Bonds6

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

2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid (PubChem CID 175312123) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid
PubChem CID175312123
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid
SMILESO=C(O)C[C@@]1(Cc2cccc(F)c2)C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H20FNO3/c25-19-10-6-9-18(13-19)14-24(15-22(27)28)20-11-4-5-12-21(20)26(23(24)29)16-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,27,28)/t24-/m1/s1
InChIKeyALPGFDLLXFVJQT-XMMPIXPASA-N
XLogP4.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid (CID 175312123) is 2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid is O=C(O)C[C@@]1(Cc2cccc(F)c2)C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid?
The InChIKey is ALPGFDLLXFVJQT-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20FNO3/c25-19-10-6-9-18(13-19)14-24(15-22(27)28)20-11-4-5-12-21(20)26(23(24)29)16-17-7-2-1-3-8-17/h1-13H,14-16H2,(H,27,28)/t24-/m1/s1.
What are the key properties of 2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid?
2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid has a molecular weight of 389.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-benzyl-3-[(3-fluorophenyl)methyl]-2-oxoindol-3-yl]acetic acid is sourced from PubChem (CID 175312123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).