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

C23H19ClN2O4 — CID 23514108

IUPAC2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)NC1=CC(=O)OC1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O4/c1-13-3-8-19-18(9-13)21(22(28)23(29)25-17-10-20(27)30-12-17)14(2)26(19)11-15-4-6-16(24)7-5-15/h3-10H,11-12H2,1-2H3,(H,25,29)
InChIKeyVKIMFQKWOMXYES-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.70
Rot. Bonds5

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

2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide (PubChem CID 23514108) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
PubChem CID23514108
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide
SMILESCc1ccc2c(c1)c(C(=O)C(=O)NC1=CC(=O)OC1)c(C)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O4/c1-13-3-8-19-18(9-13)21(22(28)23(29)25-17-10-20(27)30-12-17)14(2)26(19)11-15-4-6-16(24)7-5-15/h3-10H,11-12H2,1-2H3,(H,25,29)
InChIKeyVKIMFQKWOMXYES-UHFFFAOYSA-N
XLogP3.70
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.70
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]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide (CID 23514108) is 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide is Cc1ccc2c(c1)c(C(=O)C(=O)NC1=CC(=O)OC1)c(C)n2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide?
The InChIKey is VKIMFQKWOMXYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-13-3-8-19-18(9-13)21(22(28)23(29)25-17-10-20(27)30-12-17)14(2)26(19)11-15-4-6-16(24)7-5-15/h3-10H,11-12H2,1-2H3,(H,25,29).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide?
2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide has a molecular weight of 422.87 g/mol, XLogP of 3.70, 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]-2,5-dimethylindol-3-yl]-2-oxo-N-(5-oxo-2H-furan-3-yl)acetamide is sourced from PubChem (CID 23514108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).