2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

C23H23F5N2O3 — CID 10434854

IUPAC2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CN1CC(c2cc(F)ccc2F)=CC(c2ccccc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22F2N2O.C2HF3O2/c1-24(2)21(26)14-25-12-16(15-6-4-3-5-7-15)10-17(13-25)19-11-18(22)8-9-20(19)23;3-2(4,5)1(6)7/h3-11,16H,12-14H2,1-2H3;(H,6,7)
InChIKeyGEJCRZMFLUTCJC-UHFFFAOYSA-N
MW470.44 g/mol
LogP4.17
Rot. Bonds4

About 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 10434854) has the molecular formula C23H23F5N2O3 and a molecular weight of 470.44 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
PubChem CID10434854
Molecular FormulaC23H23F5N2O3
Molecular Weight470.44 g/mol
Exact Mass470.16
IUPAC Name2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)CN1CC(c2cc(F)ccc2F)=CC(c2ccccc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22F2N2O.C2HF3O2/c1-24(2)21(26)14-25-12-16(15-6-4-3-5-7-15)10-17(13-25)19-11-18(22)8-9-20(19)23;3-2(4,5)1(6)7/h3-11,16H,12-14H2,1-2H3;(H,6,7)
InChIKeyGEJCRZMFLUTCJC-UHFFFAOYSA-N
XLogP4.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 10434854) is 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)CN1CC(c2cc(F)ccc2F)=CC(c2ccccc2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is GEJCRZMFLUTCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O.C2HF3O2/c1-24(2)21(26)14-25-12-16(15-6-4-3-5-7-15)10-17(13-25)19-11-18(22)8-9-20(19)23;3-2(4,5)1(6)7/h3-11,16H,12-14H2,1-2H3;(H,6,7).
What are the key properties of 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 470.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)-3-phenyl-3,6-dihydro-2H-pyridin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 10434854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).