N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide

C23H24FN2O4+ — CID 4207497

IUPACN-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide
SMILESCOc1ccc2oc(C(=O)c3ccc(F)cc3)c(NC(=O)C[NH+]3CCCCC3)c2c1
InChIInChI=1S/C23H23FN2O4/c1-29-17-9-10-19-18(13-17)21(25-20(27)14-26-11-3-2-4-12-26)23(30-19)22(28)15-5-7-16(24)8-6-15/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,27)/p+1
InChIKeyYFFKCHBXHJGNQU-UHFFFAOYSA-O
MW411.45 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide

N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide (PubChem CID 4207497) has the molecular formula C23H24FN2O4+ and a molecular weight of 411.45 g/mol. Its IUPAC name is N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide
PubChem CID4207497
Molecular FormulaC23H24FN2O4+
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC NameN-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide
SMILESCOc1ccc2oc(C(=O)c3ccc(F)cc3)c(NC(=O)C[NH+]3CCCCC3)c2c1
InChIInChI=1S/C23H23FN2O4/c1-29-17-9-10-19-18(13-17)21(25-20(27)14-26-11-3-2-4-12-26)23(30-19)22(28)15-5-7-16(24)8-6-15/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,27)/p+1
InChIKeyYFFKCHBXHJGNQU-UHFFFAOYSA-O
XLogP2.82
TPSA72.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 6969250
4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
2-(azocan-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583684
3-[(4-fluorobenzoyl)amino]-6-methoxy-1-benzofuran-2-carboxamide
CID 23148999
2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-(4-methylphenoxy)acetamide
CID 5192279
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 7195031
5-methoxy-3-methyl-N-(3-piperidin-1-ium-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 9049025
N'-(4-fluorobenzoyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 7732767
[2-(4-fluoroanilino)-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7270348
2-(4-ethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 3324906
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide (CID 4207497) is N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide is COc1ccc2oc(C(=O)c3ccc(F)cc3)c(NC(=O)C[NH+]3CCCCC3)c2c1.
What is the InChIKey of N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is YFFKCHBXHJGNQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23FN2O4/c1-29-17-9-10-19-18(13-17)21(25-20(27)14-26-11-3-2-4-12-26)23(30-19)22(28)15-5-7-16(24)8-6-15/h5-10,13H,2-4,11-12,14H2,1H3,(H,25,27)/p+1.
What are the key properties of N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide?
N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 411.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorobenzoyl)-5-methoxy-1-benzofuran-3-yl]-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 4207497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).