N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide

C24H18FNO5 — CID 71830426

IUPACN-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide
SMILESCOc1cccc(C(=O)c2coc3ccc(OCC(=O)Nc4ccccc4F)cc23)c1
InChIInChI=1S/C24H18FNO5/c1-29-16-6-4-5-15(11-16)24(28)19-13-31-22-10-9-17(12-18(19)22)30-14-23(27)26-21-8-3-2-7-20(21)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyLEMRBIBCBFTUEZ-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.83
Rot. Bonds7

About N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide

N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide (PubChem CID 71830426) has the molecular formula C24H18FNO5 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide
PubChem CID71830426
Molecular FormulaC24H18FNO5
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC NameN-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide
SMILESCOc1cccc(C(=O)c2coc3ccc(OCC(=O)Nc4ccccc4F)cc23)c1
InChIInChI=1S/C24H18FNO5/c1-29-16-6-4-5-15(11-16)24(28)19-13-31-22-10-9-17(12-18(19)22)30-14-23(27)26-21-8-3-2-7-20(21)25/h2-13H,14H2,1H3,(H,26,27)
InChIKeyLEMRBIBCBFTUEZ-UHFFFAOYSA-N
XLogP4.83
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
[5-[(3-fluorophenyl)methoxy]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 91938912
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
3-benzoyl-6-methoxychromen-4-one
CID 747889
N-(2,4-dimethoxyphenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26735156
4-[2-(2-fluoroanilino)-2-oxoethoxy]-3,5-dimethoxybenzoic acid
CID 99989728
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924950
N-(2-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558525
N-[[5-bromo-2-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 3639594
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-(2-methoxyethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94595466

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide (CID 71830426) is N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide is COc1cccc(C(=O)c2coc3ccc(OCC(=O)Nc4ccccc4F)cc23)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide?
The InChIKey is LEMRBIBCBFTUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO5/c1-29-16-6-4-5-15(11-16)24(28)19-13-31-22-10-9-17(12-18(19)22)30-14-23(27)26-21-8-3-2-7-20(21)25/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide?
N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide has a molecular weight of 419.41 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide is sourced from PubChem (CID 71830426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).