2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide

C25H21F4N3O5 — CID 163361470

IUPAC2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCOC1=NC=CC(=C1)NC(=O)C2=C(C=C(C(=C2)C(F)(F)F)C3CC3)OC4=C(C=C(C=C4)F)OCC(=O)N
InChIInChI=1S/C25H21F4N3O5/c1-35-23-9-15(6-7-31-23)32-24(34)17-10-18(25(27,28)29)16(13-2-3-13)11-20(17)37-19-5-4-14(26)8-21(19)36-12-22(30)33/h4-11,13H,2-3,12H2,1H3,(H2,30,33)(H,31,32,34)
InChIKeyQWFYYCWKYHEEQS-UHFFFAOYSA-N
MW519.40 g/mol
LogP4.30
Rot. Bonds9

About 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide

2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide (PubChem CID 163361470) has the molecular formula C25H21F4N3O5 and a molecular weight of 519.40 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
PubChem CID163361470
Molecular FormulaC25H21F4N3O5
Molecular Weight519.40 g/mol
Exact Mass519.14
IUPAC Name2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCOC1=NC=CC(=C1)NC(=O)C2=C(C=C(C(=C2)C(F)(F)F)C3CC3)OC4=C(C=C(C=C4)F)OCC(=O)N
InChIInChI=1S/C25H21F4N3O5/c1-35-23-9-15(6-7-31-23)32-24(34)17-10-18(25(27,28)29)16(13-2-3-13)11-20(17)37-19-5-4-14(26)8-21(19)36-12-22(30)33/h4-11,13H,2-3,12H2,1H3,(H2,30,33)(H,31,32,34)
InChIKeyQWFYYCWKYHEEQS-UHFFFAOYSA-N
XLogP4.30
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms37
Complexity799

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide (CID 163361470) is 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide is COC1=NC=CC(=C1)NC(=O)C2=C(C=C(C(=C2)C(F)(F)F)C3CC3)OC4=C(C=C(C=C4)F)OCC(=O)N.
What is the InChIKey of 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide?
The InChIKey is QWFYYCWKYHEEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O5/c1-35-23-9-15(6-7-31-23)32-24(34)17-10-18(25(27,28)29)16(13-2-3-13)11-20(17)37-19-5-4-14(26)8-21(19)36-12-22(30)33/h4-11,13H,2-3,12H2,1H3,(H2,30,33)(H,31,32,34).
What are the key properties of 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide?
2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide has a molecular weight of 519.40 g/mol, XLogP of 4.30, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 163361470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).