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

C23H17ClN2O2 — CID 1211524

IUPAC3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c1-15-20(23(28)25-18-12-10-17(24)11-13-18)19-9-5-6-14-26(19)21(15)22(27)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,28)
InChIKeyHRCUNEFRIKPHMC-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.38
Rot. Bonds4

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

3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide (PubChem CID 1211524) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide
PubChem CID1211524
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccccc1
InChIInChI=1S/C23H17ClN2O2/c1-15-20(23(28)25-18-12-10-17(24)11-13-18)19-9-5-6-14-26(19)21(15)22(27)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,28)
InChIKeyHRCUNEFRIKPHMC-UHFFFAOYSA-N
XLogP5.38
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide?
The IUPAC name of 3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide (CID 1211524) is 3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide.
What is the SMILES notation for 3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide?
The canonical SMILES for 3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide?
The InChIKey is HRCUNEFRIKPHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-15-20(23(28)25-18-12-10-17(24)11-13-18)19-9-5-6-14-26(19)21(15)22(27)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,28).
What are the key properties of 3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide?
3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-(4-chlorophenyl)-2-methylindolizine-1-carboxamide is sourced from PubChem (CID 1211524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).