3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

C19H22FNO3 — CID 47047556

IUPAC3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)cc1F
InChIInChI=1S/C19H22FNO3/c1-11-7-13-15(9-19(2,3)10-17(13)24-11)21-18(22)12-5-6-16(23-4)14(20)8-12/h5-8,15H,9-10H2,1-4H3,(H,21,22)
InChIKeyLKNMYDQQRBFOHH-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.18
Rot. Bonds3

About 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (PubChem CID 47047556) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
PubChem CID47047556
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)cc1F
InChIInChI=1S/C19H22FNO3/c1-11-7-13-15(9-19(2,3)10-17(13)24-11)21-18(22)12-5-6-16(23-4)14(20)8-12/h5-8,15H,9-10H2,1-4H3,(H,21,22)
InChIKeyLKNMYDQQRBFOHH-UHFFFAOYSA-N
XLogP4.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide with MolForge

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782682
3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782557
2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 51958779
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea
CID 47048314
3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 47057883
1-acetyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydroindole-5-carboxamide
CID 51958789
2-bromo-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 106853310
2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 55782492
4-bromo-2,5-dimethyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 55782819
4-ethoxy-5-methoxy-2-nitro-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]benzamide
CID 51958782
2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43713733

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (CID 47047556) is 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is COc1ccc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The InChIKey is LKNMYDQQRBFOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-11-7-13-15(9-19(2,3)10-17(13)24-11)21-18(22)12-5-6-16(23-4)14(20)8-12/h5-8,15H,9-10H2,1-4H3,(H,21,22).
What are the key properties of 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide has a molecular weight of 331.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 47047556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).