(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide

C17H18F2N2O3 — CID 95219679

IUPAC(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O3/c1-10(2)15(22)16(23)21-9-11-4-3-7-20-17(11)24-14-6-5-12(18)8-13(14)19/h3-8,10,15,22H,9H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyFVXYNKVPEJUOBS-HNNXBMFYSA-N
MW336.34 g/mol
LogP2.79
Rot. Bonds6

About (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide

(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide (PubChem CID 95219679) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
PubChem CID95219679
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O3/c1-10(2)15(22)16(23)21-9-11-4-3-7-20-17(11)24-14-6-5-12(18)8-13(14)19/h3-8,10,15,22H,9H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyFVXYNKVPEJUOBS-HNNXBMFYSA-N
XLogP2.79
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
(2R)-2-amino-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 56759225
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-methylpentanamide
CID 95190027
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide
CID 56759707
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylacetamide
CID 26412943
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 42196758
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 56757836
(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 95197720
(2S)-3-(dimethylamino)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 95394220

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide?
The IUPAC name of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide (CID 95219679) is (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide?
The canonical SMILES for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide is CC(C)[C@H](O)C(=O)NCc1cccnc1Oc1ccc(F)cc1F.
What is the InChIKey of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide?
The InChIKey is FVXYNKVPEJUOBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10(2)15(22)16(23)21-9-11-4-3-7-20-17(11)24-14-6-5-12(18)8-13(14)19/h3-8,10,15,22H,9H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide?
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide has a molecular weight of 336.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 95219679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).