2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide

C19H19FN2O4 — CID 8863788

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NC(=O)Nc3ccccc3F)c2O1
InChIInChI=1S/C19H19FN2O4/c1-19(2)10-12-6-5-9-15(17(12)26-19)25-11-16(23)22-18(24)21-14-8-4-3-7-13(14)20/h3-9H,10-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyZYVVTOZCCHAMQT-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.27
Rot. Bonds4

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide (PubChem CID 8863788) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide
PubChem CID8863788
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NC(=O)Nc3ccccc3F)c2O1
InChIInChI=1S/C19H19FN2O4/c1-19(2)10-12-6-5-9-15(17(12)26-19)25-11-16(23)22-18(24)21-14-8-4-3-7-13(14)20/h3-9H,10-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyZYVVTOZCCHAMQT-UHFFFAOYSA-N
XLogP3.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-(2-fluorophenyl)thiourea
CID 9468639
[2-(2-fluoroanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855788
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
N-(2,3-dichlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8864084
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
N-[(2-chlorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9165272
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-N-prop-2-enylbenzamide
CID 55413527
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90578670
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide (CID 8863788) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NC(=O)Nc3ccccc3F)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide?
The InChIKey is ZYVVTOZCCHAMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-19(2)10-12-6-5-9-15(17(12)26-19)25-11-16(23)22-18(24)21-14-8-4-3-7-13(14)20/h3-9H,10-11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide has a molecular weight of 358.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(2-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 8863788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).