2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid

C13H15F2NO5 — CID 63701395

IUPAC2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)C(C)=O)cc1OC(F)F
InChIInChI=1S/C13H15F2NO5/c1-7(17)16(2)11(12(18)19)8-4-5-9(20-3)10(6-8)21-13(14)15/h4-6,11,13H,1-3H3,(H,18,19)
InChIKeyIEYHJRTULAAUAV-UHFFFAOYSA-N
MW303.26 g/mol
LogP1.90
Rot. Bonds6

About 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid

2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid (PubChem CID 63701395) has the molecular formula C13H15F2NO5 and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
PubChem CID63701395
Molecular FormulaC13H15F2NO5
Molecular Weight303.26 g/mol
Exact Mass303.09
IUPAC Name2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)C(C)=O)cc1OC(F)F
InChIInChI=1S/C13H15F2NO5/c1-7(17)16(2)11(12(18)19)8-4-5-9(20-3)10(6-8)21-13(14)15/h4-6,11,13H,1-3H3,(H,18,19)
InChIKeyIEYHJRTULAAUAV-UHFFFAOYSA-N
XLogP1.90
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
CID 63702399
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
2-[[3-(difluoromethoxy)-4-methoxyphenyl]-hydroxymethyl]butanoic acid
CID 62399237
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
CID 63704025
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 112514944
2-[acetyl(methyl)amino]-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81146137
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylprop-2-enoic acid
CID 79727135

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid (CID 63701395) is 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid is COc1ccc(C(C(=O)O)N(C)C(C)=O)cc1OC(F)F.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid?
The InChIKey is IEYHJRTULAAUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO5/c1-7(17)16(2)11(12(18)19)8-4-5-9(20-3)10(6-8)21-13(14)15/h4-6,11,13H,1-3H3,(H,18,19).
What are the key properties of 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid?
2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid has a molecular weight of 303.26 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 63701395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).