N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide

C17H19FN2O4 — CID 166253172

IUPACN-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
SMILESCC(C)(O)C(O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C17H19FN2O4/c1-17(2,23)15(21)16(22)20-11-6-7-14(13(18)9-11)24-10-12-5-3-4-8-19-12/h3-9,15,21,23H,10H2,1-2H3,(H,20,22)
InChIKeyVMGCCWBCQXHHEI-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.87
Rot. Bonds6

About N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide

N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide (PubChem CID 166253172) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
PubChem CID166253172
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC NameN-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
SMILESCC(C)(O)C(O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C17H19FN2O4/c1-17(2,23)15(21)16(22)20-11-6-7-14(13(18)9-11)24-10-12-5-3-4-8-19-12/h3-9,15,21,23H,10H2,1-2H3,(H,20,22)
InChIKeyVMGCCWBCQXHHEI-UHFFFAOYSA-N
XLogP1.87
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 168523388
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119898314
2-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609787
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 71865991
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119898305
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119898286
2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
CID 86857583
3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide?
The IUPAC name of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide (CID 166253172) is N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide.
What is the SMILES notation for N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide?
The canonical SMILES for N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide is CC(C)(O)C(O)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide?
The InChIKey is VMGCCWBCQXHHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-17(2,23)15(21)16(22)20-11-6-7-14(13(18)9-11)24-10-12-5-3-4-8-19-12/h3-9,15,21,23H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide?
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide has a molecular weight of 334.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide is sourced from PubChem (CID 166253172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).