[3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate

C24H15F5N2O4 — CID 67534038

IUPAC[3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2cc(C(F)(F)F)c(-c3ccc(NC(=O)c4cccc(F)c4F)cc3)n2c1
InChIInChI=1S/C24H15F5N2O4/c1-34-23(33)35-16-10-9-15-11-18(24(27,28)29)21(31(15)12-16)13-5-7-14(8-6-13)30-22(32)17-3-2-4-19(25)20(17)26/h2-12H,1H3,(H,30,32)
InChIKeyDFGYJMPHOXUDKB-UHFFFAOYSA-N
MW490.38 g/mol
LogP6.30
Rot. Bonds4

About [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate

[3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate (PubChem CID 67534038) has the molecular formula C24H15F5N2O4 and a molecular weight of 490.38 g/mol. Its IUPAC name is [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate.

Molecular Properties

Compound Name[3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate
PubChem CID67534038
Molecular FormulaC24H15F5N2O4
Molecular Weight490.38 g/mol
Exact Mass490.10
IUPAC Name[3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate
SMILESCOC(=O)Oc1ccc2cc(C(F)(F)F)c(-c3ccc(NC(=O)c4cccc(F)c4F)cc3)n2c1
InChIInChI=1S/C24H15F5N2O4/c1-34-23(33)35-16-10-9-15-11-18(24(27,28)29)21(31(15)12-16)13-5-7-14(8-6-13)30-22(32)17-3-2-4-19(25)20(17)26/h2-12H,1H3,(H,30,32)
InChIKeyDFGYJMPHOXUDKB-UHFFFAOYSA-N
XLogP6.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.38
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate?
The IUPAC name of [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate (CID 67534038) is [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate.
What is the SMILES notation for [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate?
The canonical SMILES for [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate is COC(=O)Oc1ccc2cc(C(F)(F)F)c(-c3ccc(NC(=O)c4cccc(F)c4F)cc3)n2c1.
What is the InChIKey of [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate?
The InChIKey is DFGYJMPHOXUDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F5N2O4/c1-34-23(33)35-16-10-9-15-11-18(24(27,28)29)21(31(15)12-16)13-5-7-14(8-6-13)30-22(32)17-3-2-4-19(25)20(17)26/h2-12H,1H3,(H,30,32).
What are the key properties of [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate?
[3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate has a molecular weight of 490.38 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(2,3-difluorobenzoyl)amino]phenyl]-2-(trifluoromethyl)indolizin-6-yl] methyl carbonate is sourced from PubChem (CID 67534038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).