[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate

C19H19F2NO4 — CID 8737888

IUPAC[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
SMILESCc1cccc(O[C@H](C)C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H19F2NO4/c1-11-6-4-7-14(10-11)25-13(3)19(24)26-12(2)18(23)22-17-15(20)8-5-9-16(17)21/h4-10,12-13H,1-3H3,(H,22,23)/t12-,13-/m1/s1
InChIKeyJDAALWCICZYZGA-CHWSQXEVSA-N
MW363.36 g/mol
LogP3.61
Rot. Bonds6

About [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate

[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate (PubChem CID 8737888) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
PubChem CID8737888
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
SMILESCc1cccc(O[C@H](C)C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C19H19F2NO4/c1-11-6-4-7-14(10-11)25-13(3)19(24)26-12(2)18(23)22-17-15(20)8-5-9-16(17)21/h4-10,12-13H,1-3H3,(H,22,23)/t12-,13-/m1/s1
InChIKeyJDAALWCICZYZGA-CHWSQXEVSA-N
XLogP3.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate with MolForge

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Related Compounds

[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737918
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935711
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737879
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 2397766
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737849
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 18276104
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737838
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737835
(2R)-N-(2,6-dichlorophenyl)-2-(3-methylphenoxy)propanamide
CID 41176982
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737930

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate?
The IUPAC name of [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate (CID 8737888) is [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate?
The canonical SMILES for [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate is Cc1cccc(O[C@H](C)C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate?
The InChIKey is JDAALWCICZYZGA-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-11-6-4-7-14(10-11)25-13(3)19(24)26-12(2)18(23)22-17-15(20)8-5-9-16(17)21/h4-10,12-13H,1-3H3,(H,22,23)/t12-,13-/m1/s1.
What are the key properties of [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate?
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate has a molecular weight of 363.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate is sourced from PubChem (CID 8737888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).