(3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one

C19H16FNO2 — CID 26367368

IUPAC(3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1c(C[C@@H]2C(=O)N(C)c3ccccc32)oc2ccc(F)cc12
InChIInChI=1S/C19H16FNO2/c1-11-14-9-12(20)7-8-17(14)23-18(11)10-15-13-5-3-4-6-16(13)21(2)19(15)22/h3-9,15H,10H2,1-2H3/t15-/m0/s1
InChIKeyIQYHDLOOCQBFDI-HNNXBMFYSA-N
MW309.34 g/mol
LogP4.18
Rot. Bonds2

About (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one

(3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 26367368) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID26367368
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name(3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1c(C[C@@H]2C(=O)N(C)c3ccccc32)oc2ccc(F)cc12
InChIInChI=1S/C19H16FNO2/c1-11-14-9-12(20)7-8-17(14)23-18(11)10-15-13-5-3-4-6-16(13)21(2)19(15)22/h3-9,15H,10H2,1-2H3/t15-/m0/s1
InChIKeyIQYHDLOOCQBFDI-HNNXBMFYSA-N
XLogP4.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one (CID 26367368) is (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one is Cc1c(C[C@@H]2C(=O)N(C)c3ccccc32)oc2ccc(F)cc12.
What is the InChIKey of (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is IQYHDLOOCQBFDI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-11-14-9-12(20)7-8-17(14)23-18(11)10-15-13-5-3-4-6-16(13)21(2)19(15)22/h3-9,15H,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
(3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 309.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 26367368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).