methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate

C15H11F3N2O3 — CID 97084431

IUPACmethyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1cncc(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F3N2O3/c1-23-15(22)13(11-3-2-9(16)5-12(11)18)20-14(21)8-4-10(17)7-19-6-8/h2-7,13H,1H3,(H,20,21)/t13-/m1/s1
InChIKeyBJDAYCOOBUJWGL-CYBMUJFWSA-N
MW324.26 g/mol
LogP2.14
Rot. Bonds4

About methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate

methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate (PubChem CID 97084431) has the molecular formula C15H11F3N2O3 and a molecular weight of 324.26 g/mol. Its IUPAC name is methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate
PubChem CID97084431
Molecular FormulaC15H11F3N2O3
Molecular Weight324.26 g/mol
Exact Mass324.07
IUPAC Namemethyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)[C@H](NC(=O)c1cncc(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F3N2O3/c1-23-15(22)13(11-3-2-9(16)5-12(11)18)20-14(21)8-4-10(17)7-19-6-8/h2-7,13H,1H3,(H,20,21)/t13-/m1/s1
InChIKeyBJDAYCOOBUJWGL-CYBMUJFWSA-N
XLogP2.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-(2,4-difluorophenyl)-3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 99630876
methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
methyl 2-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892520
methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate
CID 84592077
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
CID 60993846
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
methyl (2S)-2-(2,4-difluorophenyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetate
CID 97062441
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
tert-butyl N-[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamate
CID 58180376
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate?
The IUPAC name of methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate (CID 97084431) is methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate is COC(=O)[C@H](NC(=O)c1cncc(F)c1)c1ccc(F)cc1F.
What is the InChIKey of methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate?
The InChIKey is BJDAYCOOBUJWGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11F3N2O3/c1-23-15(22)13(11-3-2-9(16)5-12(11)18)20-14(21)8-4-10(17)7-19-6-8/h2-7,13H,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate?
methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate has a molecular weight of 324.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,4-difluorophenyl)-2-[(5-fluoropyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 97084431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).