5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol

C28H28N2O4 — CID 143691132

IUPAC5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol
SMILESCC(=O)c1cccc(-c2cc3c(c(C(N)=O)c2)OCC3)c1.OCCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H15NO3.C11H13NO/c1-10(19)11-3-2-4-12(7-11)14-8-13-5-6-21-16(13)15(9-14)17(18)20;13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h2-4,7-9H,5-6H2,1H3,(H2,18,20);1-2,5-6,8,12-13H,3-4,7H2
InChIKeyLNLOLGMTYQJQBE-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.68
Rot. Bonds6

About 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol

5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol (PubChem CID 143691132) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol
PubChem CID143691132
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol
SMILESCC(=O)c1cccc(-c2cc3c(c(C(N)=O)c2)OCC3)c1.OCCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H15NO3.C11H13NO/c1-10(19)11-3-2-4-12(7-11)14-8-13-5-6-21-16(13)15(9-14)17(18)20;13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h2-4,7-9H,5-6H2,1H3,(H2,18,20);1-2,5-6,8,12-13H,3-4,7H2
InChIKeyLNLOLGMTYQJQBE-UHFFFAOYSA-N
XLogP4.68
TPSA105.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol with MolForge

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Related Compounds

7-(4-carbamoyl-3-chlorophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide
CID 24959837
4-(9-aminooxy-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)but-3-yn-1-ol;3-(1H-indol-3-yl)propan-1-ol
CID 143749618
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 59786669
5-[4-(cyanomethyl)phenyl]-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 72562070
1-[2-(1H-indol-3-yl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217759
4-(1H-indol-3-yl)butanamide
CID 588715
5-(1-benzofuran-2-yl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 24962031
3-[3-[9-(aminomethyl)-2,3,4,5-tetrahydro-1-benzoxepin-7-yl]prop-2-ynyl-methylamino]butan-2-ol;3-(1H-indol-3-yl)propan-1-ol
CID 143749641
7-[3-fluoro-5-(methylcarbamoyl)phenyl]-N-[(2R)-3-hydroxy-1-(1H-indol-3-yl)-3-methylbutan-2-yl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide
CID 24957633
(3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 59804386
7-(3-aminophenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 59786717
5-(3-acetylphenyl)-2-ethoxy-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71215129

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol?
The IUPAC name of 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol (CID 143691132) is 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol?
The canonical SMILES for 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol is CC(=O)c1cccc(-c2cc3c(c(C(N)=O)c2)OCC3)c1.OCCCc1c[nH]c2ccccc12.
What is the InChIKey of 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol?
The InChIKey is LNLOLGMTYQJQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3.C11H13NO/c1-10(19)11-3-2-4-12(7-11)14-8-13-5-6-21-16(13)15(9-14)17(18)20;13-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h2-4,7-9H,5-6H2,1H3,(H2,18,20);1-2,5-6,8,12-13H,3-4,7H2.
What are the key properties of 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol?
5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol has a molecular weight of 456.54 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide;3-(1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 143691132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).