[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate

C19H19F2NO4 — CID 8737879

IUPAC[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
SMILESCc1cccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H19F2NO4/c1-11-5-4-6-15(9-11)25-13(3)19(24)26-12(2)18(23)22-17-8-7-14(20)10-16(17)21/h4-10,12-13H,1-3H3,(H,22,23)/t12-,13-/m0/s1
InChIKeyWYFMKSZJGZHSGG-STQMWFEESA-N
MW363.36 g/mol
LogP3.61
Rot. Bonds6

About [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate

[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate (PubChem CID 8737879) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
PubChem CID8737879
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
SMILESCc1cccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C19H19F2NO4/c1-11-5-4-6-15(9-11)25-13(3)19(24)26-12(2)18(23)22-17-8-7-14(20)10-16(17)21/h4-10,12-13H,1-3H3,(H,22,23)/t12-,13-/m0/s1
InChIKeyWYFMKSZJGZHSGG-STQMWFEESA-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 [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate with MolForge

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Related Compounds

[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737888
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
(2S)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013387
(2R)-N-(2,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 94013388
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855742
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 8737918
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 2397766
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 43048492
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737849
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)propanoate
CID 55420222

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
The IUPAC name of [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate (CID 8737879) is [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate.
What is the SMILES notation for [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
The canonical SMILES for [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate is Cc1cccc(O[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
The InChIKey is WYFMKSZJGZHSGG-STQMWFEESA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-11-5-4-6-15(9-11)25-13(3)19(24)26-12(2)18(23)22-17-8-7-14(20)10-16(17)21/h4-10,12-13H,1-3H3,(H,22,23)/t12-,13-/m0/s1.
What are the key properties of [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate?
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-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 [(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate is sourced from PubChem (CID 8737879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).