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
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)c(C3CC3)cc2Oc2ccc(F)cc2OCC(N)=O)ccn1
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
MW519.45 g/mol
LogP5.03
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 519.45 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 Weight519.45 g/mol
Exact Mass519.14
IUPAC Name2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)c(C3CC3)cc2Oc2ccc(F)cc2OCC(N)=O)ccn1
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
XLogP5.03
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.45
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-cyclopropyl-2-[4-fluoro-2-[(4-methoxyphenyl)methoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 163361307
ethyl 2-[2-[5-cyclopropyl-2-[(2-methoxy-4-pyridinyl)carbamoyl]-4-[4-(trifluoromethyl)phenyl]phenoxy]-5-fluorophenoxy]acetate
CID 175593059
N-[3-(4-amino-4-oxobutan-2-yl)-4-fluorophenyl]-4-cyclopropyl-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
CID 162720897
4-cyclopropyl-N-[6-[(2R)-2,3-dihydroxypropoxy]pyridazin-4-yl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
CID 170243981
4-cyclopropyl-N-[6-(2,3-dihydroxypropoxy)pyridazin-4-yl]-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
CID 170204175
2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide
CID 163361435
2-[4-fluoro-2-[2-(methanesulfonamido)ethoxy]phenoxy]-N-(2-methoxy-4-pyridinyl)-4-(trifluoromethyl)benzamide
CID 163361501
N-[3-(2-amino-1-fluoroethyl)-4-fluorophenyl]-4-cyclopropyl-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzamide
CID 162720858
2-[5-[[4-cyclopropyl-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-fluorophenoxy]ethyl imidazole-1-carboxylate
CID 162720966
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
CID 172774529
methyl 5-[[5-cyclopropyl-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzoyl]amino]-2-fluorobenzoate
CID 163361451
ethyl 3-[5-[[4-cyclopropyl-2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-fluorophenyl]propanoate
CID 163361474

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 COc1cc(NC(=O)c2cc(C(F)(F)F)c(C3CC3)cc2Oc2ccc(F)cc2OCC(N)=O)ccn1.
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 519.45 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 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).