[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate

C18H14N2O5 — CID 7194046

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H14N2O5/c19-17(22)11-5-7-13(8-6-11)20-16(21)10-24-18(23)15-9-12-3-1-2-4-14(12)25-15/h1-9H,10H2,(H2,19,22)(H,20,21)
InChIKeyWQGYDJPIOVGRAK-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.33
Rot. Bonds5

About [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7194046) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7194046
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H14N2O5/c19-17(22)11-5-7-13(8-6-11)20-16(21)10-24-18(23)15-9-12-3-1-2-4-14(12)25-15/h1-9H,10H2,(H2,19,22)(H,20,21)
InChIKeyWQGYDJPIOVGRAK-UHFFFAOYSA-N
XLogP2.33
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193975
[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
[2-(4-nitroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194105
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 42978396
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194086
[2-(3-methylsulfanylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7284197
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 1-benzofuran-2-carboxylate
CID 16502963
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
[2-oxo-2-(2-phenylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193648
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193712
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193994
[2-(4-bromoanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3978128

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7194046) is [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate is NC(=O)c1ccc(NC(=O)COC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is WQGYDJPIOVGRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c19-17(22)11-5-7-13(8-6-11)20-16(21)10-24-18(23)15-9-12-3-1-2-4-14(12)25-15/h1-9H,10H2,(H2,19,22)(H,20,21).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7194046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).