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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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).