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

C20H21F2NO6 — CID 55518336

IUPAC[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OC(C)C(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C20H21F2NO6/c1-12(18(24)23-16-6-4-5-7-17(16)29-20(21)22)28-19(25)13(2)27-15-10-8-14(26-3)9-11-15/h4-13,20H,1-3H3,(H,23,24)
InChIKeyQNLASSKPPGVVKH-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.63
Rot. Bonds9

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

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate (PubChem CID 55518336) has the molecular formula C20H21F2NO6 and a molecular weight of 409.39 g/mol. Its IUPAC name is [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
PubChem CID55518336
Molecular FormulaC20H21F2NO6
Molecular Weight409.39 g/mol
Exact Mass409.13
IUPAC Name[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)OC(C)C(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C20H21F2NO6/c1-12(18(24)23-16-6-4-5-7-17(16)29-20(21)22)28-19(25)13(2)27-15-10-8-14(26-3)9-11-15/h4-13,20H,1-3H3,(H,23,24)
InChIKeyQNLASSKPPGVVKH-UHFFFAOYSA-N
XLogP3.63
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622069
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8856462
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833581
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8866266
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984850
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8976234
(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 42093263
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 18837904
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 46519596
(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-methoxyphenoxy)propanoate?
The IUPAC name of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate (CID 55518336) is [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate is COc1ccc(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-methoxyphenoxy)propanoate?
The InChIKey is QNLASSKPPGVVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO6/c1-12(18(24)23-16-6-4-5-7-17(16)29-20(21)22)28-19(25)13(2)27-15-10-8-14(26-3)9-11-15/h4-13,20H,1-3H3,(H,23,24).
What are the key properties of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate?
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate has a molecular weight of 409.39 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 55518336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).