2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide

C21H17F3N2O3 — CID 140670919

IUPAC2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide
SMILESCCOc1cc(-c2ccc(CC(N)=O)c(F)c2)cn(-c2cc(F)ccc2F)c1=O
InChIInChI=1S/C21H17F3N2O3/c1-2-29-19-8-14(12-3-4-13(9-20(25)27)17(24)7-12)11-26(21(19)28)18-10-15(22)5-6-16(18)23/h3-8,10-11H,2,9H2,1H3,(H2,25,27)
InChIKeyNJRVPOYGUUPHSC-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.35
Rot. Bonds6

About 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide

2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide (PubChem CID 140670919) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide
PubChem CID140670919
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide
SMILESCCOc1cc(-c2ccc(CC(N)=O)c(F)c2)cn(-c2cc(F)ccc2F)c1=O
InChIInChI=1S/C21H17F3N2O3/c1-2-29-19-8-14(12-3-4-13(9-20(25)27)17(24)7-12)11-26(21(19)28)18-10-15(22)5-6-16(18)23/h3-8,10-11H,2,9H2,1H3,(H2,25,27)
InChIKeyNJRVPOYGUUPHSC-UHFFFAOYSA-N
XLogP3.35
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluorophenyl)acetamide
CID 21245498
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
2-[5-[4-[3-[4-(2,5-difluorophenyl)-1-(4-methylphenyl)-5-oxo-1,2,4-triazol-3-yl]propyl]phenyl]-2-ethoxyphenyl]acetic acid
CID 121459714
1-(2,5-difluorophenyl)-5-methylpyridin-2-one
CID 11956884
N-[(Z)-1-amino-5,5,5-trifluoro-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetamide
CID 144703335
2-[5-fluoro-2-(2-oxopropyl)phenyl]acetamide
CID 174850108
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
3-[2-amino-3-(2,4-difluorophenyl)propanoyl]-1-(2,2-dimethoxyethyl)-5-ethoxypyridin-4-one
CID 175283231
5-(aminomethyl)-2-(3,4-diethoxyphenyl)-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 144949409
5-(aminomethyl)-2-(3,4-diethoxyphenyl)-N-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide;ethane
CID 144949408
3-[(2,5-difluorophenyl)sulfinylmethyl]-4-ethoxyaniline
CID 61288253
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide?
The IUPAC name of 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide (CID 140670919) is 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide?
The canonical SMILES for 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide is CCOc1cc(-c2ccc(CC(N)=O)c(F)c2)cn(-c2cc(F)ccc2F)c1=O.
What is the InChIKey of 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide?
The InChIKey is NJRVPOYGUUPHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-2-29-19-8-14(12-3-4-13(9-20(25)27)17(24)7-12)11-26(21(19)28)18-10-15(22)5-6-16(18)23/h3-8,10-11H,2,9H2,1H3,(H2,25,27).
What are the key properties of 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide?
2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide has a molecular weight of 402.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,5-difluorophenyl)-5-ethoxy-6-oxo-3-pyridinyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 140670919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).