acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate

C23H20F2N2O7 — CID 172779268

IUPACacetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate
SMILESCC(=O)O.O=C(CNC(=O)c1ncc(Oc2cccc(F)c2F)cc1O)OCc1ccccc1
InChIInChI=1S/C21H16F2N2O5.C2H4O2/c22-15-7-4-8-17(19(15)23)30-14-9-16(26)20(24-10-14)21(28)25-11-18(27)29-12-13-5-2-1-3-6-13;1-2(3)4/h1-10,26H,11-12H2,(H,25,28);1H3,(H,3,4)
InChIKeyOAMBTAWUOMSOFY-UHFFFAOYSA-N
MW474.42 g/mol
LogP3.42
Rot. Bonds7

About acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate

acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate (PubChem CID 172779268) has the molecular formula C23H20F2N2O7 and a molecular weight of 474.42 g/mol. Its IUPAC name is acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameacetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate
PubChem CID172779268
Molecular FormulaC23H20F2N2O7
Molecular Weight474.42 g/mol
Exact Mass474.12
IUPAC Nameacetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate
SMILESCC(=O)O.O=C(CNC(=O)c1ncc(Oc2cccc(F)c2F)cc1O)OCc1ccccc1
InChIInChI=1S/C21H16F2N2O5.C2H4O2/c22-15-7-4-8-17(19(15)23)30-14-9-16(26)20(24-10-14)21(28)25-11-18(27)29-12-13-5-2-1-3-6-13;1-2(3)4/h1-10,26H,11-12H2,(H,25,28);1H3,(H,3,4)
InChIKeyOAMBTAWUOMSOFY-UHFFFAOYSA-N
XLogP3.42
TPSA135.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.42
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate with MolForge

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Related Compounds

2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134204791
2-[(3-hydroxy-5-phenoxypyridine-2-carbonyl)amino]acetic acid
CID 134204800
2-[[5-(3-fluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134472428
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
CID 16579660
2-[[5-(4-chlorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134478916
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
CID 163253667
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 27711239

Frequently Asked Questions

What is the IUPAC name of acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate?
The IUPAC name of acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate (CID 172779268) is acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate.
What is the SMILES notation for acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate?
The canonical SMILES for acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate is CC(=O)O.O=C(CNC(=O)c1ncc(Oc2cccc(F)c2F)cc1O)OCc1ccccc1.
What is the InChIKey of acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate?
The InChIKey is OAMBTAWUOMSOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O5.C2H4O2/c22-15-7-4-8-17(19(15)23)30-14-9-16(26)20(24-10-14)21(28)25-11-18(27)29-12-13-5-2-1-3-6-13;1-2(3)4/h1-10,26H,11-12H2,(H,25,28);1H3,(H,3,4).
What are the key properties of acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate?
acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate has a molecular weight of 474.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;benzyl 2-[[5-(2,3-difluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetate is sourced from PubChem (CID 172779268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).