2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid

C19H16FNO4 — CID 18453719

IUPAC2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid
SMILESCOc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccccc3)c2cc1F
InChIInChI=1S/C19H16FNO4/c1-11-13(9-18(22)23)14-8-17(25-2)15(20)10-16(14)21(11)19(24)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyMTOAWWWMSNEABA-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.41
Rot. Bonds4

About 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid

2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid (PubChem CID 18453719) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid
PubChem CID18453719
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid
SMILESCOc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccccc3)c2cc1F
InChIInChI=1S/C19H16FNO4/c1-11-13(9-18(22)23)14-8-17(25-2)15(20)10-16(14)21(11)19(24)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyMTOAWWWMSNEABA-UHFFFAOYSA-N
XLogP3.41
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid?
The IUPAC name of 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid (CID 18453719) is 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid is COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccccc3)c2cc1F.
What is the InChIKey of 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid?
The InChIKey is MTOAWWWMSNEABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-11-13(9-18(22)23)14-8-17(25-2)15(20)10-16(14)21(11)19(24)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid?
2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid has a molecular weight of 341.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-6-fluoro-5-methoxy-2-methylindol-3-yl)acetic acid is sourced from PubChem (CID 18453719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).