ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate

C23H20F2N2O4 — CID 69414854

IUPACethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C23H20F2N2O4/c1-2-30-21(28)13-15-5-6-16(20(25)12-15)14-27-22(29)19-4-3-11-26-23(19)31-18-9-7-17(24)8-10-18/h3-12H,2,13-14H2,1H3,(H,27,29)
InChIKeyOODGKDWSWCZHSV-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.19
Rot. Bonds8

About ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate

ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate (PubChem CID 69414854) has the molecular formula C23H20F2N2O4 and a molecular weight of 426.42 g/mol. Its IUPAC name is ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
PubChem CID69414854
Molecular FormulaC23H20F2N2O4
Molecular Weight426.42 g/mol
Exact Mass426.14
IUPAC Nameethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C23H20F2N2O4/c1-2-30-21(28)13-15-5-6-16(20(25)12-15)14-27-22(29)19-4-3-11-26-23(19)31-18-9-7-17(24)8-10-18/h3-12H,2,13-14H2,1H3,(H,27,29)
InChIKeyOODGKDWSWCZHSV-UHFFFAOYSA-N
XLogP4.19
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate with MolForge

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Related Compounds

N-[[2-fluoro-4-[4-(3-hydroxy-3-methylbutan-2-yl)oxyphenyl]phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 10208094
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 141060333
CID 87932328
CID 87932328
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612119
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
2-[4-[[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]methyl]-3-fluorophenoxy]-2-methylpropanoic acid
CID 22610171
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate?
The IUPAC name of ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate (CID 69414854) is ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate is CCOC(=O)Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)c(F)c1.
What is the InChIKey of ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate?
The InChIKey is OODGKDWSWCZHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O4/c1-2-30-21(28)13-15-5-6-16(20(25)12-15)14-27-22(29)19-4-3-11-26-23(19)31-18-9-7-17(24)8-10-18/h3-12H,2,13-14H2,1H3,(H,27,29).
What are the key properties of ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate?
ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate has a molecular weight of 426.42 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate is sourced from PubChem (CID 69414854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).