N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide

C23H17NO6 — CID 90489438

IUPACN-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1
InChIInChI=1S/C23H17NO6/c1-14(25)24-16-6-4-15(5-7-16)20(26)13-29-17-8-9-21-18(11-17)19(12-30-21)23(27)22-3-2-10-28-22/h2-12H,13H2,1H3,(H,24,25)
InChIKeyKXWMZIRVCMPQJH-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.48
Rot. Bonds7

About N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide

N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide (PubChem CID 90489438) has the molecular formula C23H17NO6 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide
PubChem CID90489438
Molecular FormulaC23H17NO6
Molecular Weight403.39 g/mol
Exact Mass403.11
IUPAC NameN-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1
InChIInChI=1S/C23H17NO6/c1-14(25)24-16-6-4-15(5-7-16)20(26)13-29-17-8-9-21-18(11-17)19(12-30-21)23(27)22-3-2-10-28-22/h2-12H,13H2,1H3,(H,24,25)
InChIKeyKXWMZIRVCMPQJH-UHFFFAOYSA-N
XLogP4.48
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-piperidin-1-ylethanone
CID 91938984
[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939011
[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939012
1-(3,4-dimethoxyphenyl)-2-[[3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-5-yl]oxy]ethanone
CID 90489402
N-[4-[2-(3-methylphenoxy)acetyl]phenyl]acetamide
CID 167959701
N-[4-[2-(4-ethoxyphenoxy)acetyl]phenyl]acetamide
CID 2560779
2-[4-(furan-2-carbonyl)phenoxy]acetic acid
CID 82086021
[5-[(3-fluorophenyl)methoxy]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 91938912
N-(2-fluorophenyl)-2-[[3-(3-methoxybenzoyl)-1-benzofuran-5-yl]oxy]acetamide
CID 71830426
N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 91937739
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide (CID 90489438) is N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)COc2ccc3occ(C(=O)c4ccco4)c3c2)cc1.
What is the InChIKey of N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide?
The InChIKey is KXWMZIRVCMPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO6/c1-14(25)24-16-6-4-15(5-7-16)20(26)13-29-17-8-9-21-18(11-17)19(12-30-21)23(27)22-3-2-10-28-22/h2-12H,13H2,1H3,(H,24,25).
What are the key properties of N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide?
N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide has a molecular weight of 403.39 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]acetyl]phenyl]acetamide is sourced from PubChem (CID 90489438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).