N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide

C22H18N2O — CID 13400564

IUPACN-(3-methylphenyl)-2-phenylindolizine-8-carboxamide
SMILESCc1cccc(NC(=O)c2cccn3cc(-c4ccccc4)cc23)c1
InChIInChI=1S/C22H18N2O/c1-16-7-5-10-19(13-16)23-22(25)20-11-6-12-24-15-18(14-21(20)24)17-8-3-2-4-9-17/h2-15H,1H3,(H,23,25)
InChIKeyHAYDVEXMXJNYBB-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.17
Rot. Bonds3

About N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide

N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide (PubChem CID 13400564) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-phenylindolizine-8-carboxamide
PubChem CID13400564
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC NameN-(3-methylphenyl)-2-phenylindolizine-8-carboxamide
SMILESCc1cccc(NC(=O)c2cccn3cc(-c4ccccc4)cc23)c1
InChIInChI=1S/C22H18N2O/c1-16-7-5-10-19(13-16)23-22(25)20-11-6-12-24-15-18(14-21(20)24)17-8-3-2-4-9-17/h2-15H,1H3,(H,23,25)
InChIKeyHAYDVEXMXJNYBB-UHFFFAOYSA-N
XLogP5.17
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide (CID 13400564) is N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide is Cc1cccc(NC(=O)c2cccn3cc(-c4ccccc4)cc23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide?
The InChIKey is HAYDVEXMXJNYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-16-7-5-10-19(13-16)23-22(25)20-11-6-12-24-15-18(14-21(20)24)17-8-3-2-4-9-17/h2-15H,1H3,(H,23,25).
What are the key properties of N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide?
N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-phenylindolizine-8-carboxamide is sourced from PubChem (CID 13400564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).