4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide

C20H19FN2O5 — CID 175486671

IUPAC4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(COc3ccccc3F)c(C(CO)C(N)=O)c2c1C(N)=O
InChIInChI=1S/C20H19FN2O5/c1-10-16(20(23)26)18-15(28-10)7-6-11(17(18)12(8-24)19(22)25)9-27-14-5-3-2-4-13(14)21/h2-7,12,24H,8-9H2,1H3,(H2,22,25)(H2,23,26)
InChIKeyLSUWAEXIHUJWAF-UHFFFAOYSA-N
MW386.38 g/mol
LogP2.12
Rot. Bonds7

About 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide

4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 175486671) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID175486671
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Name4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(COc3ccccc3F)c(C(CO)C(N)=O)c2c1C(N)=O
InChIInChI=1S/C20H19FN2O5/c1-10-16(20(23)26)18-15(28-10)7-6-11(17(18)12(8-24)19(22)25)9-27-14-5-3-2-4-13(14)21/h2-7,12,24H,8-9H2,1H3,(H2,22,25)(H2,23,26)
InChIKeyLSUWAEXIHUJWAF-UHFFFAOYSA-N
XLogP2.12
TPSA128.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

5-Ethoxy-2-phenyl-1-benzofuran-3-carboxamide
CID 800773
N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 16391190
17-(4-fluorophenyl)-N-methyl-2,18-dioxatricyclo[12.7.0.015,19]henicosa-1(14),15(19),16,20-tetraene-16-carboxamide
CID 121265954
5-Methoxy-2-phenyl-1-benzofuran-3-carboxamide
CID 779313
15-(4-fluorophenyl)-N-methyl-2,16-dioxatricyclo[10.7.0.013,17]nonadeca-1(12),13(17),14,18-tetraene-14-carboxamide
CID 121265944
4-(4-fluorophenyl)-N-methyl-5,10-dioxatricyclo[7.7.0.02,6]hexadeca-1(9),2(6),3,7-tetraene-3-carboxamide
CID 121265947
18-(4-fluorophenyl)-N-methyl-2,19-dioxatricyclo[13.7.0.016,20]docosa-1(15),16(20),17,21-tetraene-17-carboxamide
CID 121265949
2-(4-fluorophenyl)-N-methyl-7,10-dihydrofuro[3,2-g][1]benzoxepine-1-carboxamide
CID 121265956
14-(4-fluorophenyl)-N-methyl-2,15-dioxatricyclo[9.7.0.012,16]octadeca-1(11),12(16),13,17-tetraene-13-carboxamide
CID 121265958
5-(hydroxymethyl)-N-methyl-2-phenyl-benzofuran-3-carboxamide
CID 9970943
2-(4-fluoro-3-hydroxy-phenyl)-5-isopropoxy-N-methyl-benzofuran-3-carboxamide
CID 9974714
2-(4-fluorophenyl)-5-isopropoxy-N,7-dimethyl-benzofuran-3-carboxamide
CID 10246691

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide (CID 175486671) is 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(COc3ccccc3F)c(C(CO)C(N)=O)c2c1C(N)=O.
What is the InChIKey of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is LSUWAEXIHUJWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O5/c1-10-16(20(23)26)18-15(28-10)7-6-11(17(18)12(8-24)19(22)25)9-27-14-5-3-2-4-13(14)21/h2-7,12,24H,8-9H2,1H3,(H2,22,25)(H2,23,26).
What are the key properties of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide?
4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175486671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).