2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

C24H19ClN2O3 — CID 8707554

IUPAC2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1
InChIInChI=1S/C24H19ClN2O3/c1-30-20-11-5-16(6-12-20)15-26-24(29)23(28)22-21(17-7-9-18(25)10-8-17)14-19-4-2-3-13-27(19)22/h2-14H,15H2,1H3,(H,26,29)
InChIKeyFCDLKRRBBRPXJA-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.77
Rot. Bonds6

About 2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (PubChem CID 8707554) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
PubChem CID8707554
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1
InChIInChI=1S/C24H19ClN2O3/c1-30-20-11-5-16(6-12-20)15-26-24(29)23(28)22-21(17-7-9-18(25)10-8-17)14-19-4-2-3-13-27(19)22/h2-14H,15H2,1H3,(H,26,29)
InChIKeyFCDLKRRBBRPXJA-UHFFFAOYSA-N
XLogP4.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (CID 8707554) is 2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is FCDLKRRBBRPXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-30-20-11-5-16(6-12-20)15-26-24(29)23(28)22-21(17-7-9-18(25)10-8-17)14-19-4-2-3-13-27(19)22/h2-14H,15H2,1H3,(H,26,29).
What are the key properties of 2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 418.88 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)indolizin-3-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 8707554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).