(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide

C16H15F3N2O4 — CID 95208041

IUPAC(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)[C@H](O)C(F)(F)F
InChIInChI=1S/C16H15F3N2O4/c1-24-11-6-2-3-7-12(11)25-15-10(5-4-8-20-15)9-21-14(23)13(22)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyJWWAKFPZMUBTRJ-ZDUSSCGKSA-N
MW356.30 g/mol
LogP2.42
Rot. Bonds6

About (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide

(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 95208041) has the molecular formula C16H15F3N2O4 and a molecular weight of 356.30 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
PubChem CID95208041
Molecular FormulaC16H15F3N2O4
Molecular Weight356.30 g/mol
Exact Mass356.10
IUPAC Name(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)[C@H](O)C(F)(F)F
InChIInChI=1S/C16H15F3N2O4/c1-24-11-6-2-3-7-12(11)25-15-10(5-4-8-20-15)9-21-14(23)13(22)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyJWWAKFPZMUBTRJ-ZDUSSCGKSA-N
XLogP2.42
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 95206608
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 56741172
3,3,3-trifluoro-2-hydroxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propanamide
CID 56748690
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642
(2S)-2-amino-3,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 119852317
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]furan-3-carboxamide
CID 26409085
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
2,2,2-trifluoroethyl N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]carbamate
CID 166187966
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinoline-6-carboxamide
CID 56738127
2-methyl-3-(methylamino)-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119852318
(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 95394220

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide (CID 95208041) is (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide is COc1ccccc1Oc1ncccc1CNC(=O)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is JWWAKFPZMUBTRJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15F3N2O4/c1-24-11-6-2-3-7-12(11)25-15-10(5-4-8-20-15)9-21-14(23)13(22)16(17,18)19/h2-8,13,22H,9H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide?
(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 356.30 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 95208041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).