2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide

C22H18N2O3 — CID 1089001

IUPAC2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C22H18N2O3/c25-21(23-13-17-9-6-12-27-17)15-24-14-19(18-10-4-5-11-20(18)24)22(26)16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H,23,25)
InChIKeyQSKWNFLMABNDCU-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.78
Rot. Bonds6

About 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 1089001) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID1089001
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C22H18N2O3/c25-21(23-13-17-9-6-12-27-17)15-24-14-19(18-10-4-5-11-20(18)24)22(26)16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H,23,25)
InChIKeyQSKWNFLMABNDCU-UHFFFAOYSA-N
XLogP3.78
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16935380
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide
CID 34241101
2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 170889663
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935594
2-(3-benzoylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 2953380
2-(3-benzoylindol-1-yl)-N-cyclohexylacetamide
CID 2202973
2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 164781411
N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 1321903
2-[3-[(E)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 1140649
2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 1089001) is 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide is O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)NCc1ccco1.
What is the InChIKey of 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QSKWNFLMABNDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21(23-13-17-9-6-12-27-17)15-24-14-19(18-10-4-5-11-20(18)24)22(26)16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H,23,25).
What are the key properties of 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1089001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).