2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid

C18H16FNO3 — CID 175312083

IUPAC2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid
SMILESCC1(CC(=O)O)C(=O)N(Cc2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C18H16FNO3/c1-18(10-16(21)22)14-8-7-13(19)9-15(14)20(17(18)23)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyBNMVLVYVRZJIGO-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.10
Rot. Bonds4

About 2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid

2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid (PubChem CID 175312083) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid
PubChem CID175312083
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid
SMILESCC1(CC(=O)O)C(=O)N(Cc2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C18H16FNO3/c1-18(10-16(21)22)14-8-7-13(19)9-15(14)20(17(18)23)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyBNMVLVYVRZJIGO-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-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid?
The IUPAC name of 2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid (CID 175312083) is 2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid is CC1(CC(=O)O)C(=O)N(Cc2ccccc2)c2cc(F)ccc21.
What is the InChIKey of 2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid?
The InChIKey is BNMVLVYVRZJIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-18(10-16(21)22)14-8-7-13(19)9-15(14)20(17(18)23)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-(1-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid?
2-(1-benzyl-6-fluoro-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-benzyl-6-fluoro-3-methyl-2-oxoindol-3-yl)acetic acid is sourced from PubChem (CID 175312083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).