2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide

C22H18N2O4 — CID 1091512

IUPAC2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C22H18N2O4/c1-27-16-10-8-15(9-11-16)23-21(25)14-24-13-18(17-5-2-3-6-19(17)24)22(26)20-7-4-12-28-20/h2-13H,14H2,1H3,(H,23,25)
InChIKeyJVKIITLFSOHXOJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.11
Rot. Bonds6

About 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide

2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1091512) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID1091512
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C22H18N2O4/c1-27-16-10-8-15(9-11-16)23-21(25)14-24-13-18(17-5-2-3-6-19(17)24)22(26)20-7-4-12-28-20/h2-13H,14H2,1H3,(H,23,25)
InChIKeyJVKIITLFSOHXOJ-UHFFFAOYSA-N
XLogP4.11
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 1091512) is 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is JVKIITLFSOHXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-16-10-8-15(9-11-16)23-21(25)14-24-13-18(17-5-2-3-6-19(17)24)22(26)20-7-4-12-28-20/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1091512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).