N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide

C31H28F2N2O5 — CID 118116436

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCCC(=O)c2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C31H28F2N2O5/c1-3-39-29-18-31(38)35(2)19-24(29)23-17-22(13-15-27(23)40-28-14-12-21(32)16-25(28)33)34-30(37)11-7-10-26(36)20-8-5-4-6-9-20/h4-6,8-9,12-19H,3,7,10-11H2,1-2H3,(H,34,37)
InChIKeyWYGRRGHTRKYEPV-UHFFFAOYSA-N
MW546.57 g/mol
LogP6.51
Rot. Bonds11

About N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide (PubChem CID 118116436) has the molecular formula C31H28F2N2O5 and a molecular weight of 546.57 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide
PubChem CID118116436
Molecular FormulaC31H28F2N2O5
Molecular Weight546.57 g/mol
Exact Mass546.20
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCCC(=O)c2ccccc2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C31H28F2N2O5/c1-3-39-29-18-31(38)35(2)19-24(29)23-17-22(13-15-27(23)40-28-14-12-21(32)16-25(28)33)34-30(37)11-7-10-26(36)20-8-5-4-6-9-20/h4-6,8-9,12-19H,3,7,10-11H2,1-2H3,(H,34,37)
InChIKeyWYGRRGHTRKYEPV-UHFFFAOYSA-N
XLogP6.51
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.57
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutanamide
CID 118116968
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3,3-dimethylbutanamide
CID 90019267
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-pyrazol-1-ylacetamide
CID 118117060
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 118116640
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 118117023
4-[[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)anilino]methyl]benzonitrile
CID 118116399
N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide
CID 135354281
N-[4-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-4-phenylbutyl]-2-hydroxybenzamide
CID 135354271
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]propanamide
CID 171637997
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 90415904
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide (CID 118116436) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)CCCC(=O)c2ccccc2)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide?
The InChIKey is WYGRRGHTRKYEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N2O5/c1-3-39-29-18-31(38)35(2)19-24(29)23-17-22(13-15-27(23)40-28-14-12-21(32)16-25(28)33)34-30(37)11-7-10-26(36)20-8-5-4-6-9-20/h4-6,8-9,12-19H,3,7,10-11H2,1-2H3,(H,34,37).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide?
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-5-oxo-5-phenylpentanamide has a molecular weight of 546.57 g/mol, XLogP of 6.51, 11 rotatable bonds, 1 hydrogen bond donors, and 6 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]-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 118116436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).