N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C17H14FNO3 — CID 8863756

IUPACN-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCc1cc(F)ccc1NC(=O)C[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C17H14FNO3/c1-10-8-11(18)6-7-14(10)19-16(20)9-15-12-4-2-3-5-13(12)17(21)22-15/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyWOWNHBWXVFOVEK-HNNXBMFYSA-N
MW299.30 g/mol
LogP3.37
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 8863756) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID8863756
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCc1cc(F)ccc1NC(=O)C[C@@H]1OC(=O)c2ccccc21
InChIInChI=1S/C17H14FNO3/c1-10-8-11(18)6-7-14(10)19-16(20)9-15-12-4-2-3-5-13(12)17(21)22-15/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyWOWNHBWXVFOVEK-HNNXBMFYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-3-[[2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzoate
CID 40794912
N-(4-fluoro-2-methylphenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 86867543
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 9206111
3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3H-2-benzofuran-1-one
CID 15619731
N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 2999418
N-cyclopropyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 7986718
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
2-(5,5-dioxophenothiazin-10-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 20944763
N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94002797
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 94835011
N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 96548553
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26521364

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 8863756) is N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is Cc1cc(F)ccc1NC(=O)C[C@@H]1OC(=O)c2ccccc21.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is WOWNHBWXVFOVEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-10-8-11(18)6-7-14(10)19-16(20)9-15-12-4-2-3-5-13(12)17(21)22-15/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 299.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 8863756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).