methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate

C19H20FNO6 — CID 18084077

IUPACmethyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C19H20FNO6/c1-11(27-13-7-5-12(20)6-8-13)18(22)21-15-10-17(25-3)16(24-2)9-14(15)19(23)26-4/h5-11H,1-4H3,(H,21,22)
InChIKeyHULCLADCCVSWGZ-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.04
Rot. Bonds7

About methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate

methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate (PubChem CID 18084077) has the molecular formula C19H20FNO6 and a molecular weight of 377.37 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate
PubChem CID18084077
Molecular FormulaC19H20FNO6
Molecular Weight377.37 g/mol
Exact Mass377.13
IUPAC Namemethyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)Oc1ccc(F)cc1
InChIInChI=1S/C19H20FNO6/c1-11(27-13-7-5-12(20)6-8-13)18(22)21-15-10-17(25-3)16(24-2)9-14(15)19(23)26-4/h5-11H,1-4H3,(H,21,22)
InChIKeyHULCLADCCVSWGZ-UHFFFAOYSA-N
XLogP3.04
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7751068
methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 2168029
methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
CID 132763636
methyl 2-chloro-5-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]benzoate
CID 26074860
methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
CID 51537459
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(2S)-2-(4-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7962389
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate (CID 18084077) is methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)Oc1ccc(F)cc1.
What is the InChIKey of methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate?
The InChIKey is HULCLADCCVSWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO6/c1-11(27-13-7-5-12(20)6-8-13)18(22)21-15-10-17(25-3)16(24-2)9-14(15)19(23)26-4/h5-11H,1-4H3,(H,21,22).
What are the key properties of methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate?
methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate has a molecular weight of 377.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 18084077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).