4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide

C24H17Cl2FN2O2 — CID 121472927

IUPAC4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(C(=O)c3c(Cl)ccc(F)c3Cl)n3ccccc23)cc1
InChIInChI=1S/C24H17Cl2FN2O2/c1-28(2)24(31)15-8-6-14(7-9-15)16-13-20(29-12-4-3-5-19(16)29)23(30)21-17(25)10-11-18(27)22(21)26/h3-13H,1-2H3
InChIKeyOJVVAPUBXAZINB-UHFFFAOYSA-N
MW455.32 g/mol
LogP5.99
Rot. Bonds4

About 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide

4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide (PubChem CID 121472927) has the molecular formula C24H17Cl2FN2O2 and a molecular weight of 455.32 g/mol. Its IUPAC name is 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide
PubChem CID121472927
Molecular FormulaC24H17Cl2FN2O2
Molecular Weight455.32 g/mol
Exact Mass454.07
IUPAC Name4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cc(C(=O)c3c(Cl)ccc(F)c3Cl)n3ccccc23)cc1
InChIInChI=1S/C24H17Cl2FN2O2/c1-28(2)24(31)15-8-6-14(7-9-15)16-13-20(29-12-4-3-5-19(16)29)23(30)21-17(25)10-11-18(27)22(21)26/h3-13H,1-2H3
InChIKeyOJVVAPUBXAZINB-UHFFFAOYSA-N
XLogP5.99
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.32
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide (CID 121472927) is 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cc(C(=O)c3c(Cl)ccc(F)c3Cl)n3ccccc23)cc1.
What is the InChIKey of 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide?
The InChIKey is OJVVAPUBXAZINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O2/c1-28(2)24(31)15-8-6-14(7-9-15)16-13-20(29-12-4-3-5-19(16)29)23(30)21-17(25)10-11-18(27)22(21)26/h3-13H,1-2H3.
What are the key properties of 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide?
4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide has a molecular weight of 455.32 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichloro-3-fluorobenzoyl)indolizin-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 121472927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).