ethyl 3-(1-benzofuran-2-carbonylamino)benzoate

C18H15NO4 — CID 682562

IUPACethyl 3-(1-benzofuran-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H15NO4/c1-2-22-18(21)13-7-5-8-14(10-13)19-17(20)16-11-12-6-3-4-9-15(12)23-16/h3-11H,2H2,1H3,(H,19,20)
InChIKeyIANBWWKJDIHYFC-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.86
Rot. Bonds4

About ethyl 3-(1-benzofuran-2-carbonylamino)benzoate

ethyl 3-(1-benzofuran-2-carbonylamino)benzoate (PubChem CID 682562) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is ethyl 3-(1-benzofuran-2-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(1-benzofuran-2-carbonylamino)benzoate
PubChem CID682562
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Nameethyl 3-(1-benzofuran-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H15NO4/c1-2-22-18(21)13-7-5-8-14(10-13)19-17(20)16-11-12-6-3-4-9-15(12)23-16/h3-11H,2H2,1H3,(H,19,20)
InChIKeyIANBWWKJDIHYFC-UHFFFAOYSA-N
XLogP3.86
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873531
3-Methyl-furan-2-carboxylic acid naphthalen-2-ylamide
CID 573329

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-benzofuran-2-carbonylamino)benzoate?
The IUPAC name of ethyl 3-(1-benzofuran-2-carbonylamino)benzoate (CID 682562) is ethyl 3-(1-benzofuran-2-carbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(1-benzofuran-2-carbonylamino)benzoate?
The canonical SMILES for ethyl 3-(1-benzofuran-2-carbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of ethyl 3-(1-benzofuran-2-carbonylamino)benzoate?
The InChIKey is IANBWWKJDIHYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-22-18(21)13-7-5-8-14(10-13)19-17(20)16-11-12-6-3-4-9-15(12)23-16/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 3-(1-benzofuran-2-carbonylamino)benzoate?
ethyl 3-(1-benzofuran-2-carbonylamino)benzoate has a molecular weight of 309.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-benzofuran-2-carbonylamino)benzoate is sourced from PubChem (CID 682562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).