carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate

C17H12FNO5 — CID 91364556

IUPACcarbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
SMILESCOc1ccc2oc(-c3ccccc3F)c(C(=O)OC(N)=O)c2c1
InChIInChI=1S/C17H12FNO5/c1-22-9-6-7-13-11(8-9)14(16(20)24-17(19)21)15(23-13)10-4-2-3-5-12(10)18/h2-8H,1H3,(H2,19,21)
InChIKeyJFXGKHGXEAHGSV-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.48
Rot. Bonds3

About carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate

carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate (PubChem CID 91364556) has the molecular formula C17H12FNO5 and a molecular weight of 329.28 g/mol. Its IUPAC name is carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namecarbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
PubChem CID91364556
Molecular FormulaC17H12FNO5
Molecular Weight329.28 g/mol
Exact Mass329.07
IUPAC Namecarbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
SMILESCOc1ccc2oc(-c3ccccc3F)c(C(=O)OC(N)=O)c2c1
InChIInChI=1S/C17H12FNO5/c1-22-9-6-7-13-11(8-9)14(16(20)24-17(19)21)15(23-13)10-4-2-3-5-12(10)18/h2-8H,1H3,(H2,19,21)
InChIKeyJFXGKHGXEAHGSV-UHFFFAOYSA-N
XLogP3.48
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 90272615
carbamoyl 6-chloro-2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 91485530
5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide
CID 13415652
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
CID 6126130
carbamoyl 5-propan-2-yloxy-2-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-3-carboxylate
CID 91150222
carbamoyl 2,6-difluorobenzoate
CID 175511176
5-[(2,6-difluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70692505
carbamoyl 6-(dimethylamino)-2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 91616778
[2-[(4-chlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
CID 3392861
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
CID 6125391

Frequently Asked Questions

What is the IUPAC name of carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate?
The IUPAC name of carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate (CID 91364556) is carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate.
What is the SMILES notation for carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate?
The canonical SMILES for carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate is COc1ccc2oc(-c3ccccc3F)c(C(=O)OC(N)=O)c2c1.
What is the InChIKey of carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate?
The InChIKey is JFXGKHGXEAHGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO5/c1-22-9-6-7-13-11(8-9)14(16(20)24-17(19)21)15(23-13)10-4-2-3-5-12(10)18/h2-8H,1H3,(H2,19,21).
What are the key properties of carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate?
carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate has a molecular weight of 329.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2-(2-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate is sourced from PubChem (CID 91364556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).