2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

C23H22F3N3O3 — CID 75451846

IUPAC2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(CN2CC=C(C#N)CC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H22F3N3O3/c1-31-21-12-17(14-29-10-8-16(13-27)9-11-29)6-7-20(21)32-15-22(30)28-19-5-3-2-4-18(19)23(24,25)26/h2-8,12H,9-11,14-15H2,1H3,(H,28,30)
InChIKeyVUJWYVVLDKBKKO-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.39
Rot. Bonds7

About 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 75451846) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID75451846
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(CN2CC=C(C#N)CC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H22F3N3O3/c1-31-21-12-17(14-29-10-8-16(13-27)9-11-29)6-7-20(21)32-15-22(30)28-19-5-3-2-4-18(19)23(24,25)26/h2-8,12H,9-11,14-15H2,1H3,(H,28,30)
InChIKeyVUJWYVVLDKBKKO-UHFFFAOYSA-N
XLogP4.39
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 119134260
N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
[2-(carbamoylamino)-2-oxoethyl] 3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 3938129
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
2-(2-ethoxy-4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7820624
N-(2-methoxy-5-methylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 51283496
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 6495060
(E)-2-cyano-3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 17379837
methyl 3-bromo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 36940941
2-[2-methoxy-4-[(Z)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126237587

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 75451846) is 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1cc(CN2CC=C(C#N)CC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VUJWYVVLDKBKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-31-21-12-17(14-29-10-8-16(13-27)9-11-29)6-7-20(21)32-15-22(30)28-19-5-3-2-4-18(19)23(24,25)26/h2-8,12H,9-11,14-15H2,1H3,(H,28,30).
What are the key properties of 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 445.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyano-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methoxyphenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 75451846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).