N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide

C29H26F2N2O4 — CID 118117152

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCc2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C29H26F2N2O4/c1-3-36-27-17-29(35)33(2)18-23(27)22-16-21(32-28(34)14-9-19-7-5-4-6-8-19)11-13-25(22)37-26-12-10-20(30)15-24(26)31/h4-8,10-13,15-18H,3,9,14H2,1-2H3,(H,32,34)
InChIKeyAPEPFHNCWPFURA-UHFFFAOYSA-N
MW504.53 g/mol
LogP6.09
Rot. Bonds9

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide (PubChem CID 118117152) has the molecular formula C29H26F2N2O4 and a molecular weight of 504.53 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide
PubChem CID118117152
Molecular FormulaC29H26F2N2O4
Molecular Weight504.53 g/mol
Exact Mass504.19
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCc2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C29H26F2N2O4/c1-3-36-27-17-29(35)33(2)18-23(27)22-16-21(32-28(34)14-9-19-7-5-4-6-8-19)11-13-25(22)37-26-12-10-20(30)15-24(26)31/h4-8,10-13,15-18H,3,9,14H2,1-2H3,(H,32,34)
InChIKeyAPEPFHNCWPFURA-UHFFFAOYSA-N
XLogP6.09
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide (CID 118117152) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCc2ccccc2)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide?
The InChIKey is APEPFHNCWPFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N2O4/c1-3-36-27-17-29(35)33(2)18-23(27)22-16-21(32-28(34)14-9-19-7-5-4-6-8-19)11-13-25(22)37-26-12-10-20(30)15-24(26)31/h4-8,10-13,15-18H,3,9,14H2,1-2H3,(H,32,34).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide?
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide has a molecular weight of 504.53 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 118117152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).