2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid

C17H16FNO5 — CID 122189678

IUPAC2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid
SMILESCc1ccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1
InChIInChI=1S/C17H16FNO5/c1-11-2-5-13(6-3-11)23-9-16(20)19-12-4-7-15(14(18)8-12)24-10-17(21)22/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyLZWKDLLMLZKWGM-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.62
Rot. Bonds7

About 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid

2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid (PubChem CID 122189678) has the molecular formula C17H16FNO5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid
PubChem CID122189678
Molecular FormulaC17H16FNO5
Molecular Weight333.32 g/mol
Exact Mass333.10
IUPAC Name2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid
SMILESCc1ccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1
InChIInChI=1S/C17H16FNO5/c1-11-2-5-13(6-3-11)23-9-16(20)19-12-4-7-15(14(18)8-12)24-10-17(21)22/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyLZWKDLLMLZKWGM-UHFFFAOYSA-N
XLogP2.62
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(tert-Butyl)phenoxy)-N-(4-hydroxyphenyl)acetamide
CID 2975850
N-(4-methylphenyl)-2-phenoxyacetamide
CID 689977
4-Acetaminophenoxyacetic acid
CID 101437
N-(3-ethenylphenyl)-2-phenoxyacetamide
CID 2231690
2-[4-(4-Hexyl-2-hydroxyphenoxy)anilino]-2-oxoacetic acid
CID 44450056
N-(4-Isopropyl-phenyl)-2-phenoxy-acetamide
CID 690069
4-[4-(Benzyloxy)anilino]-4-oxobut-2-enoic acid
CID 711768
2-(3,4-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723386
2-(2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 759341
2-(2-methylphenoxy)-N-(2-oxo-2H-chromen-6-yl)acetamide
CID 969017
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2394109
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid (CID 122189678) is 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid is Cc1ccc(OCC(=O)Nc2ccc(OCC(=O)O)c(F)c2)cc1.
What is the InChIKey of 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid?
The InChIKey is LZWKDLLMLZKWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c1-11-2-5-13(6-3-11)23-9-16(20)19-12-4-7-15(14(18)8-12)24-10-17(21)22/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid?
2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid has a molecular weight of 333.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[2-(4-methylphenoxy)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 122189678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).