5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide

C29H27FN2O4 — CID 58831969

IUPAC5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide
SMILESCCCOc1ccc(-c2cc3ccccc3o2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C29H27FN2O4/c1-2-11-35-27-10-7-19(28-14-18-5-3-4-6-26(18)36-28)13-24(27)29(34)32-22(17-33)12-20-16-31-25-9-8-21(30)15-23(20)25/h3-10,13-16,22,31,33H,2,11-12,17H2,1H3,(H,32,34)
InChIKeyPGPXJCCULUPFLQ-UHFFFAOYSA-N
MW486.54 g/mol
LogP5.84
Rot. Bonds9

About 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide

5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide (PubChem CID 58831969) has the molecular formula C29H27FN2O4 and a molecular weight of 486.54 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide
PubChem CID58831969
Molecular FormulaC29H27FN2O4
Molecular Weight486.54 g/mol
Exact Mass486.20
IUPAC Name5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide
SMILESCCCOc1ccc(-c2cc3ccccc3o2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C29H27FN2O4/c1-2-11-35-27-10-7-19(28-14-18-5-3-4-6-26(18)36-28)13-24(27)29(34)32-22(17-33)12-20-16-31-25-9-8-21(30)15-23(20)25/h3-10,13-16,22,31,33H,2,11-12,17H2,1H3,(H,32,34)
InChIKeyPGPXJCCULUPFLQ-UHFFFAOYSA-N
XLogP5.84
TPSA87.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 55.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide (CID 58831969) is 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide is CCCOc1ccc(-c2cc3ccccc3o2)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide?
The InChIKey is PGPXJCCULUPFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O4/c1-2-11-35-27-10-7-19(28-14-18-5-3-4-6-26(18)36-28)13-24(27)29(34)32-22(17-33)12-20-16-31-25-9-8-21(30)15-23(20)25/h3-10,13-16,22,31,33H,2,11-12,17H2,1H3,(H,32,34).
What are the key properties of 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide?
5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide has a molecular weight of 486.54 g/mol, XLogP of 5.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-[1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-2-yl]-2-propoxybenzamide is sourced from PubChem (CID 58831969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).