2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid

C19H20FNO5 — CID 122189737

IUPAC2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1C
InChIInChI=1S/C19H20FNO5/c1-11-4-6-15(8-12(11)2)26-13(3)19(24)21-14-5-7-17(16(20)9-14)25-10-18(22)23/h4-9,13H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKBOUWVHHHCCMNQ-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.31
Rot. Bonds7

About 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid

2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid (PubChem CID 122189737) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid
PubChem CID122189737
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1C
InChIInChI=1S/C19H20FNO5/c1-11-4-6-15(8-12(11)2)26-13(3)19(24)21-14-5-7-17(16(20)9-14)25-10-18(22)23/h4-9,13H,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKBOUWVHHHCCMNQ-UHFFFAOYSA-N
XLogP3.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Naproanilide
CID 40413
2-[4-(4-Hexyl-2-hydroxyphenoxy)anilino]-2-oxoacetic acid
CID 44450056
2-(3,4-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723386
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2394109
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methoxyphenyl)acetamide
CID 2611425
(2-Oxo-2-{[4-(2-phenylethoxy)phenyl]amino}ethoxy)acetic acid
CID 5034646
[1-(4-ethylanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 6144705
[(4-Fluorophenyl)carbamoyl]methyl 2-(4-methoxyphenyl)acetate
CID 2335014
2-[2-Fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 122189672
2-[2-Fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid
CID 122189676
2-[4-[2-(3-Tert-butylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid
CID 122189683
2-[2-Fluoro-4-[[3-(2-methyl-4-propoxyphenyl)phenyl]methylamino]phenoxy]acetic acid
CID 146695343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid (CID 122189737) is 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid is Cc1ccc(OC(C)C(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1C.
What is the InChIKey of 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid?
The InChIKey is KBOUWVHHHCCMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-11-4-6-15(8-12(11)2)26-13(3)19(24)21-14-5-7-17(16(20)9-14)25-10-18(22)23/h4-9,13H,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid?
2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid has a molecular weight of 361.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dimethylphenoxy)propanoylamino]-2-fluorophenoxy]acetic acid is sourced from PubChem (CID 122189737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).