2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide

C22H17ClN2O4 — CID 23514049

IUPAC2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESCc1c(C(=O)C(=O)NC2=CC(=O)OC2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O4/c1-13-20(21(27)22(28)24-16-10-19(26)29-12-16)17-4-2-3-5-18(17)25(13)11-14-6-8-15(23)9-7-14/h2-10H,11-12H2,1H3,(H,24,28)
InChIKeyDBOKJOKKNGRPTL-UHFFFAOYSA-N
MW408.84 g/mol
LogP3.39
Rot. Bonds5

About 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide

2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide (PubChem CID 23514049) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
PubChem CID23514049
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESCc1c(C(=O)C(=O)NC2=CC(=O)OC2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O4/c1-13-20(21(27)22(28)24-16-10-19(26)29-12-16)17-4-2-3-5-18(17)25(13)11-14-6-8-15(23)9-7-14/h2-10H,11-12H2,1H3,(H,24,28)
InChIKeyDBOKJOKKNGRPTL-UHFFFAOYSA-N
XLogP3.39
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide (CID 23514049) is 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide is Cc1c(C(=O)C(=O)NC2=CC(=O)OC2)c2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide?
The InChIKey is DBOKJOKKNGRPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c1-13-20(21(27)22(28)24-16-10-19(26)29-12-16)17-4-2-3-5-18(17)25(13)11-14-6-8-15(23)9-7-14/h2-10H,11-12H2,1H3,(H,24,28).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide?
2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide has a molecular weight of 408.84 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide is sourced from PubChem (CID 23514049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).