N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide

C20H19FN2O4 — CID 86845093

IUPACN-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)NCc2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C20H19FN2O4/c1-3-19(25)23-13-5-6-16(24)15(9-13)20(26)22-10-18-11(2)14-8-12(21)4-7-17(14)27-18/h4-9,24H,3,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDNNFPAWQOHYWFJ-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.86
Rot. Bonds5

About N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide

N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide (PubChem CID 86845093) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide
PubChem CID86845093
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)NCc2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C20H19FN2O4/c1-3-19(25)23-13-5-6-16(24)15(9-13)20(26)22-10-18-11(2)14-8-12(21)4-7-17(14)27-18/h4-9,24H,3,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyDNNFPAWQOHYWFJ-UHFFFAOYSA-N
XLogP3.86
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]butanamide;hydrochloride
CID 119754076
7-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]heptanamide
CID 119754041
2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119306364
N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide
CID 75432569
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104132
N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015471
3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754048
N'-[2-(dimethylamino)phenyl]-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]oxamide
CID 86847017
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505327
N-tert-butyl-2-[[N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111385110
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937953

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide?
The IUPAC name of N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide (CID 86845093) is N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide.
What is the SMILES notation for N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide?
The canonical SMILES for N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide is CCC(=O)Nc1ccc(O)c(C(=O)NCc2oc3ccc(F)cc3c2C)c1.
What is the InChIKey of N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide?
The InChIKey is DNNFPAWQOHYWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-3-19(25)23-13-5-6-16(24)15(9-13)20(26)22-10-18-11(2)14-8-12(21)4-7-17(14)27-18/h4-9,24H,3,10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide?
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide has a molecular weight of 370.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide is sourced from PubChem (CID 86845093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).