3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide

C17H13FN2O4 — CID 23148999

IUPAC3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(NC(=O)c3ccc(F)cc3)c(C(N)=O)oc2c1
InChIInChI=1S/C17H13FN2O4/c1-23-11-6-7-12-13(8-11)24-15(16(19)21)14(12)20-17(22)9-2-4-10(18)5-3-9/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyZKTRSMNNHYAPLU-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.93
Rot. Bonds4

About 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide

3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide (PubChem CID 23148999) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide
PubChem CID23148999
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(NC(=O)c3ccc(F)cc3)c(C(N)=O)oc2c1
InChIInChI=1S/C17H13FN2O4/c1-23-11-6-7-12-13(8-11)24-15(16(19)21)14(12)20-17(22)9-2-4-10(18)5-3-9/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyZKTRSMNNHYAPLU-UHFFFAOYSA-N
XLogP2.93
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
5-fluoro-3-[(4-fluorobenzoyl)amino]-7-hydroxy-1-benzofuran-2-carboxamide
CID 23148992
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
(E)-N-(2-acetyl-6-methoxy-1-benzofuran-3-yl)but-2-enamide
CID 11818142
3-(3,4-difluorophenyl)-6-methoxy-1-benzofuran-2-carboxamide;formamide
CID 143084408
N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide
CID 4207497
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide (CID 23148999) is 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide is COc1ccc2c(NC(=O)c3ccc(F)cc3)c(C(N)=O)oc2c1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ZKTRSMNNHYAPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-23-11-6-7-12-13(8-11)24-15(16(19)21)14(12)20-17(22)9-2-4-10(18)5-3-9/h2-8H,1H3,(H2,19,21)(H,20,22).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide?
3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 328.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23148999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).