3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide

C18H16N2O4 — CID 3235679

IUPAC3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C18H16N2O4/c1-2-23-12-9-7-11(8-10-12)18(22)20-15-13-5-3-4-6-14(13)24-16(15)17(19)21/h3-10H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyZWTIQWQXDZHYMN-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.18
Rot. Bonds5

About 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide

3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 3235679) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID3235679
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1
InChIInChI=1S/C18H16N2O4/c1-2-23-12-9-7-11(8-10-12)18(22)20-15-13-5-3-4-6-14(13)24-16(15)17(19)21/h3-10H,2H2,1H3,(H2,19,21)(H,20,22)
InChIKeyZWTIQWQXDZHYMN-UHFFFAOYSA-N
XLogP3.18
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 135415469
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
(3-Amino-1-benzofuran-2-YL)(4-methoxyphenyl)methanone
CID 693230
3-Amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 1083209
N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-[3-acetamido-5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 132275014
N-[4-(hexanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1868107
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide (CID 3235679) is 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide is CCOc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1.
What is the InChIKey of 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is ZWTIQWQXDZHYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-23-12-9-7-11(8-10-12)18(22)20-15-13-5-3-4-6-14(13)24-16(15)17(19)21/h3-10H,2H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxybenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3235679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).