2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide

C20H21F3N2O4 — CID 160624082

IUPAC2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1C(=O)NC(C)c1cc(C)nc(CC(C)=O)c1
InChIInChI=1S/C20H21F3N2O4/c1-11-7-14(9-15(24-11)8-12(2)26)13(3)25-19(27)17-6-5-16(10-18(17)28-4)29-20(21,22)23/h5-7,9-10,13H,8H2,1-4H3,(H,25,27)
InChIKeyRHBLXAFZPLSHKA-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.92
Rot. Bonds7

About 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide

2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 160624082) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID160624082
Molecular FormulaC20H21F3N2O4
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC Name2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(OC(F)(F)F)ccc1C(=O)NC(C)c1cc(C)nc(CC(C)=O)c1
InChIInChI=1S/C20H21F3N2O4/c1-11-7-14(9-15(24-11)8-12(2)26)13(3)25-19(27)17-6-5-16(10-18(17)28-4)29-20(21,22)23/h5-7,9-10,13H,8H2,1-4H3,(H,25,27)
InChIKeyRHBLXAFZPLSHKA-UHFFFAOYSA-N
XLogP3.92
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46423703
3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 157398028
N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide
CID 159042117
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 147481344
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]-2,6-bis(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 160559114
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162025687
2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 122555372
3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide (CID 160624082) is 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide is COc1cc(OC(F)(F)F)ccc1C(=O)NC(C)c1cc(C)nc(CC(C)=O)c1.
What is the InChIKey of 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is RHBLXAFZPLSHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c1-11-7-14(9-15(24-11)8-12(2)26)13(3)25-19(27)17-6-5-16(10-18(17)28-4)29-20(21,22)23/h5-7,9-10,13H,8H2,1-4H3,(H,25,27).
What are the key properties of 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 410.39 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 160624082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).