2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid

C19H20FNO5 — CID 75429383

IUPAC2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
SMILESCOc1ccc(CCC(=O)NCc2ccccc2OCC(=O)O)cc1F
InChIInChI=1S/C19H20FNO5/c1-25-17-8-6-13(10-15(17)20)7-9-18(22)21-11-14-4-2-3-5-16(14)26-12-19(23)24/h2-6,8,10H,7,9,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyJCOWYXHDLINEFQ-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.55
Rot. Bonds9

About 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid

2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid (PubChem CID 75429383) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
PubChem CID75429383
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
SMILESCOc1ccc(CCC(=O)NCc2ccccc2OCC(=O)O)cc1F
InChIInChI=1S/C19H20FNO5/c1-25-17-8-6-13(10-15(17)20)7-9-18(22)21-11-14-4-2-3-5-16(14)26-12-19(23)24/h2-6,8,10H,7,9,11-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyJCOWYXHDLINEFQ-UHFFFAOYSA-N
XLogP2.55
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34322367
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275994
3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 51275993
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249807
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 55800518

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid (CID 75429383) is 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid is COc1ccc(CCC(=O)NCc2ccccc2OCC(=O)O)cc1F.
What is the InChIKey of 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid?
The InChIKey is JCOWYXHDLINEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-25-17-8-6-13(10-15(17)20)7-9-18(22)21-11-14-4-2-3-5-16(14)26-12-19(23)24/h2-6,8,10H,7,9,11-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid?
2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid has a molecular weight of 361.37 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 75429383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).