N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C17H17NO3 — CID 54266113

IUPACN-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCCc1ccc(NC(=O)c2coc3c2C(=O)CCC3)cc1
InChIInChI=1S/C17H17NO3/c1-2-11-6-8-12(9-7-11)18-17(20)13-10-21-15-5-3-4-14(19)16(13)15/h6-10H,2-5H2,1H3,(H,18,20)
InChIKeyCYMJXIDCPVGKJG-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.61
Rot. Bonds3

About N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 54266113) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
PubChem CID54266113
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCCc1ccc(NC(=O)c2coc3c2C(=O)CCC3)cc1
InChIInChI=1S/C17H17NO3/c1-2-11-6-8-12(9-7-11)18-17(20)13-10-21-15-5-3-4-14(19)16(13)15/h6-10H,2-5H2,1H3,(H,18,20)
InChIKeyCYMJXIDCPVGKJG-UHFFFAOYSA-N
XLogP3.61
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-[[4-[(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamic acid
CID 21185186
4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
CID 713937
N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 3861361
N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771775
3-[4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]phenyl]propanoic acid
CID 71915468
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857774
N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 59917838
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 59024430
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
N-(4-ethylphenyl)benzamide
CID 774063

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 54266113) is N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is CCc1ccc(NC(=O)c2coc3c2C(=O)CCC3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The InChIKey is CYMJXIDCPVGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-11-6-8-12(9-7-11)18-17(20)13-10-21-15-5-3-4-14(19)16(13)15/h6-10H,2-5H2,1H3,(H,18,20).
What are the key properties of N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 54266113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).