N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide

C23H16ClFN2O2 — CID 1211549

IUPACN-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H16ClFN2O2/c1-14-20(23(29)26-18-11-7-16(24)8-12-18)19-4-2-3-13-27(19)21(14)22(28)15-5-9-17(25)10-6-15/h2-13H,1H3,(H,26,29)
InChIKeyXRZJURDGAPALJE-UHFFFAOYSA-N
MW406.84 g/mol
LogP5.52
Rot. Bonds4

About N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide

N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide (PubChem CID 1211549) has the molecular formula C23H16ClFN2O2 and a molecular weight of 406.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide
PubChem CID1211549
Molecular FormulaC23H16ClFN2O2
Molecular Weight406.84 g/mol
Exact Mass406.09
IUPAC NameN-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H16ClFN2O2/c1-14-20(23(29)26-18-11-7-16(24)8-12-18)19-4-2-3-13-27(19)21(14)22(28)15-5-9-17(25)10-6-15/h2-13H,1H3,(H,26,29)
InChIKeyXRZJURDGAPALJE-UHFFFAOYSA-N
XLogP5.52
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.84
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide (CID 1211549) is N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide?
The InChIKey is XRZJURDGAPALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN2O2/c1-14-20(23(29)26-18-11-7-16(24)8-12-18)19-4-2-3-13-27(19)21(14)22(28)15-5-9-17(25)10-6-15/h2-13H,1H3,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide?
N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide has a molecular weight of 406.84 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide is sourced from PubChem (CID 1211549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).