[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate

C20H21F2NO5 — CID 46622069

IUPAC[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)OC(C)C(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C20H21F2NO5/c1-12-8-10-15(11-9-12)26-14(3)19(25)27-13(2)18(24)23-16-6-4-5-7-17(16)28-20(21)22/h4-11,13-14,20H,1-3H3,(H,23,24)
InChIKeyPTFXUBFICBWLRH-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.93
Rot. Bonds8

About [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate (PubChem CID 46622069) has the molecular formula C20H21F2NO5 and a molecular weight of 393.39 g/mol. Its IUPAC name is [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
PubChem CID46622069
Molecular FormulaC20H21F2NO5
Molecular Weight393.39 g/mol
Exact Mass393.14
IUPAC Name[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
SMILESCc1ccc(OC(C)C(=O)OC(C)C(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C20H21F2NO5/c1-12-8-10-15(11-9-12)26-14(3)19(25)27-13(2)18(24)23-16-6-4-5-7-17(16)28-20(21)22/h4-11,13-14,20H,1-3H3,(H,23,24)
InChIKeyPTFXUBFICBWLRH-UHFFFAOYSA-N
XLogP3.93
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55518336
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8856462
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 16567139
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833581
[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 8740477
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8866266
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984850
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833485
(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384278
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422

Frequently Asked Questions

What is the IUPAC name of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate?
The IUPAC name of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate (CID 46622069) is [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate.
What is the SMILES notation for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate?
The canonical SMILES for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate is Cc1ccc(OC(C)C(=O)OC(C)C(=O)Nc2ccccc2OC(F)F)cc1.
What is the InChIKey of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate?
The InChIKey is PTFXUBFICBWLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO5/c1-12-8-10-15(11-9-12)26-14(3)19(25)27-13(2)18(24)23-16-6-4-5-7-17(16)28-20(21)22/h4-11,13-14,20H,1-3H3,(H,23,24).
What are the key properties of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate?
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate has a molecular weight of 393.39 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate is sourced from PubChem (CID 46622069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).