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

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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).