methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate

C19H19F3N2O6 — CID 55778080

IUPACmethyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)cc1OC
InChIInChI=1S/C19H19F3N2O6/c1-27-15-8-12(5-6-14(15)29-10-16(25)28-2)17(26)24-9-13-4-3-7-23-18(13)30-11-19(20,21)22/h3-8H,9-11H2,1-2H3,(H,24,26)
InChIKeyKFYOHGYXRZFRPB-UHFFFAOYSA-N
MW428.36 g/mol
LogP2.51
Rot. Bonds9

About methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate

methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate (PubChem CID 55778080) has the molecular formula C19H19F3N2O6 and a molecular weight of 428.36 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate
PubChem CID55778080
Molecular FormulaC19H19F3N2O6
Molecular Weight428.36 g/mol
Exact Mass428.12
IUPAC Namemethyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)cc1OC
InChIInChI=1S/C19H19F3N2O6/c1-27-15-8-12(5-6-14(15)29-10-16(25)28-2)17(26)24-9-13-4-3-7-23-18(13)30-11-19(20,21)22/h3-8H,9-11H2,1-2H3,(H,24,26)
InChIKeyKFYOHGYXRZFRPB-UHFFFAOYSA-N
XLogP2.51
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-4-(pyridin-3-ylmethoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 37298392
methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate
CID 55776713
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55613810
2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 37297652
3-(tert-butylsulfamoyl)-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 37485901
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46482950
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111215077
6-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyridazine-3-carboxamide
CID 37298369
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 56752971
2-(2-bromo-4,5-diethoxyphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 46447585
4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 56563614
4-(cyclopropylamino)-3-nitro-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 46424299

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate (CID 55778080) is methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate is COC(=O)COc1ccc(C(=O)NCc2cccnc2OCC(F)(F)F)cc1OC.
What is the InChIKey of methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate?
The InChIKey is KFYOHGYXRZFRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O6/c1-27-15-8-12(5-6-14(15)29-10-16(25)28-2)17(26)24-9-13-4-3-7-23-18(13)30-11-19(20,21)22/h3-8H,9-11H2,1-2H3,(H,24,26).
What are the key properties of methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate?
methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate has a molecular weight of 428.36 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylcarbamoyl]phenoxy]acetate is sourced from PubChem (CID 55778080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).