2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid

C12H13F2NO5 — CID 63702399

IUPAC2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(C(NC(C)=O)C(=O)O)cc1OC(F)F
InChIInChI=1S/C12H13F2NO5/c1-6(16)15-10(11(17)18)7-3-4-8(19-2)9(5-7)20-12(13)14/h3-5,10,12H,1-2H3,(H,15,16)(H,17,18)
InChIKeyVWNCWIBUXRJOCA-UHFFFAOYSA-N
MW289.23 g/mol
LogP1.56
Rot. Bonds6

About 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid

2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid (PubChem CID 63702399) has the molecular formula C12H13F2NO5 and a molecular weight of 289.23 g/mol. Its IUPAC name is 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
PubChem CID63702399
Molecular FormulaC12H13F2NO5
Molecular Weight289.23 g/mol
Exact Mass289.08
IUPAC Name2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(C(NC(C)=O)C(=O)O)cc1OC(F)F
InChIInChI=1S/C12H13F2NO5/c1-6(16)15-10(11(17)18)7-3-4-8(19-2)9(5-7)20-12(13)14/h3-5,10,12H,1-2H3,(H,15,16)(H,17,18)
InChIKeyVWNCWIBUXRJOCA-UHFFFAOYSA-N
XLogP1.56
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
CID 63701395
ethyl 2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)acetate
CID 60788246
2-[[3-(difluoromethoxy)-4-methoxyphenyl]-hydroxymethyl]butanoic acid
CID 62399237
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336
2-[[carboxy-(3,4-dimethoxyphenyl)methyl]amino]propanoic acid
CID 82344855
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 61055320
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-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid (CID 63702399) is 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid is COc1ccc(C(NC(C)=O)C(=O)O)cc1OC(F)F.
What is the InChIKey of 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid?
The InChIKey is VWNCWIBUXRJOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO5/c1-6(16)15-10(11(17)18)7-3-4-8(19-2)9(5-7)20-12(13)14/h3-5,10,12H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid?
2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid has a molecular weight of 289.23 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 63702399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).