1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid

C22H18N2O5 — CID 175454741

IUPAC1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid
SMILESCC(=O)n1cc(C(N)=O)c2ccccc21.O=C(O)c1cccc(-c2ccco2)c1
InChIInChI=1S/C11H10N2O2.C11H8O3/c1-7(14)13-6-9(11(12)15)8-4-2-3-5-10(8)13;12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h2-6H,1H3,(H2,12,15);1-7H,(H,12,13)
InChIKeySCUMVCLYGWUBLO-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.05
Rot. Bonds3

About 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid

1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid (PubChem CID 175454741) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid.

Molecular Properties

Compound Name1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid
PubChem CID175454741
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid
SMILESCC(=O)n1cc(C(N)=O)c2ccccc21.O=C(O)c1cccc(-c2ccco2)c1
InChIInChI=1S/C11H10N2O2.C11H8O3/c1-7(14)13-6-9(11(12)15)8-4-2-3-5-10(8)13;12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h2-6H,1H3,(H2,12,15);1-7H,(H,12,13)
InChIKeySCUMVCLYGWUBLO-UHFFFAOYSA-N
XLogP4.05
TPSA115.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid?
The IUPAC name of 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid (CID 175454741) is 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid.
What is the SMILES notation for 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid?
The canonical SMILES for 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid is CC(=O)n1cc(C(N)=O)c2ccccc21.O=C(O)c1cccc(-c2ccco2)c1.
What is the InChIKey of 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid?
The InChIKey is SCUMVCLYGWUBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.C11H8O3/c1-7(14)13-6-9(11(12)15)8-4-2-3-5-10(8)13;12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h2-6H,1H3,(H2,12,15);1-7H,(H,12,13).
What are the key properties of 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid?
1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid has a molecular weight of 390.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylindole-3-carboxamide;3-(furan-2-yl)benzoic acid is sourced from PubChem (CID 175454741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).