2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid

C20H21F2NO5 — CID 120529017

IUPAC2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C20H21F2NO5/c1-2-27-17-6-4-3-5-16(17)20(21,22)19(26)23-12-11-14-7-9-15(10-8-14)28-13-18(24)25/h3-10H,2,11-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyWOJGHSNEKPKYPM-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.00
Rot. Bonds10

About 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 120529017) has the molecular formula C20H21F2NO5 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid
PubChem CID120529017
Molecular FormulaC20H21F2NO5
Molecular Weight393.39 g/mol
Exact Mass393.14
IUPAC Name2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)NCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C20H21F2NO5/c1-2-27-17-6-4-3-5-16(17)20(21,22)19(26)23-12-11-14-7-9-15(10-8-14)28-13-18(24)25/h3-10H,2,11-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyWOJGHSNEKPKYPM-UHFFFAOYSA-N
XLogP3.00
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid with MolForge

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Related Compounds

3-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]benzoic acid
CID 120535496
2-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethylsulfanyl]acetic acid
CID 120526528
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255707
2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid
CID 120533300
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-[4-[2-[[2-(trifluoromethylsulfanyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255439
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
2-[4-[2-[[2-(methoxymethyl)benzoyl]amino]ethyl]phenoxy]acetic acid
CID 119255595
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
(2S)-2-[[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695347
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid (CID 120529017) is 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid is CCOc1ccccc1C(F)(F)C(=O)NCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is WOJGHSNEKPKYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO5/c1-2-27-17-6-4-3-5-16(17)20(21,22)19(26)23-12-11-14-7-9-15(10-8-14)28-13-18(24)25/h3-10H,2,11-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 393.39 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 120529017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).