3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide

C16H17FN2O2 — CID 115466263

IUPAC3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC1CCCc2occc21
InChIInChI=1S/C16H17FN2O2/c1-9-12(17)7-10(16(18)20)8-14(9)19-13-3-2-4-15-11(13)5-6-21-15/h5-8,13,19H,2-4H2,1H3,(H2,18,20)
InChIKeyFKJIVOBNPBHFJN-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.32
Rot. Bonds3

About 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide

3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide (PubChem CID 115466263) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
PubChem CID115466263
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC1CCCc2occc21
InChIInChI=1S/C16H17FN2O2/c1-9-12(17)7-10(16(18)20)8-14(9)19-13-3-2-4-15-11(13)5-6-21-15/h5-8,13,19H,2-4H2,1H3,(H2,18,20)
InChIKeyFKJIVOBNPBHFJN-UHFFFAOYSA-N
XLogP3.32
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide 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 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
The IUPAC name of 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide (CID 115466263) is 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide is Cc1c(F)cc(C(N)=O)cc1NC1CCCc2occc21.
What is the InChIKey of 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
The InChIKey is FKJIVOBNPBHFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-9-12(17)7-10(16(18)20)8-14(9)19-13-3-2-4-15-11(13)5-6-21-15/h5-8,13,19H,2-4H2,1H3,(H2,18,20).
What are the key properties of 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide has a molecular weight of 288.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide is sourced from PubChem (CID 115466263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).