ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate

C18H14FNO4 — CID 4569687

IUPACethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H14FNO4/c1-2-23-18(22)16-15(13-8-3-4-9-14(13)24-16)20-17(21)11-6-5-7-12(19)10-11/h3-10H,2H2,1H3,(H,20,21)
InChIKeyQZUFZGKEBRQBRS-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.00
Rot. Bonds4

About ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate

ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate (PubChem CID 4569687) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
PubChem CID4569687
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Nameethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C18H14FNO4/c1-2-23-18(22)16-15(13-8-3-4-9-14(13)24-16)20-17(21)11-6-5-7-12(19)10-11/h3-10H,2H2,1H3,(H,20,21)
InChIKeyQZUFZGKEBRQBRS-UHFFFAOYSA-N
XLogP4.00
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
ethyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117039
ethyl 3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzofuran-2-carboxylate
CID 23884551
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
ethyl 3-[(4-butoxybenzoyl)amino]-1-benzofuran-2-carboxylate
CID 16814955
ethyl 3-[(2,4-dichlorobenzoyl)amino]-1-benzofuran-2-carboxylate
CID 7117042
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-3-methylbenzamide
CID 4072165
ethyl 3-[(2,2-diphenylacetyl)amino]-1-benzofuran-2-carboxylate
CID 4642144
3-ethoxy-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848100
[2-(3-fluoroanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2666924

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate (CID 4569687) is ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1.
What is the InChIKey of ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate?
The InChIKey is QZUFZGKEBRQBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-2-23-18(22)16-15(13-8-3-4-9-14(13)24-16)20-17(21)11-6-5-7-12(19)10-11/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate?
ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate has a molecular weight of 327.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-fluorobenzoyl)amino]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 4569687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).