2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid

C12H13F2NO4 — CID 63701407

IUPAC2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1ccccc1OC(F)F
InChIInChI=1S/C12H13F2NO4/c1-7(16)15(2)10(11(17)18)8-5-3-4-6-9(8)19-12(13)14/h3-6,10,12H,1-2H3,(H,17,18)
InChIKeyWQINQQSJFSZVLT-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.89
Rot. Bonds5

About 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid

2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid (PubChem CID 63701407) has the molecular formula C12H13F2NO4 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
PubChem CID63701407
Molecular FormulaC12H13F2NO4
Molecular Weight273.24 g/mol
Exact Mass273.08
IUPAC Name2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1ccccc1OC(F)F
InChIInChI=1S/C12H13F2NO4/c1-7(16)15(2)10(11(17)18)8-5-3-4-6-9(8)19-12(13)14/h3-6,10,12H,1-2H3,(H,17,18)
InChIKeyWQINQQSJFSZVLT-UHFFFAOYSA-N
XLogP1.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]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-(2-methoxyphenyl)acetic acid
CID 63701934
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
CID 63701395
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid
CID 65060590
2-[2-(difluoromethoxy)phenyl]-2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]acetic acid
CID 69426829
2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 60992175
3-acetamido-3-[2-(difluoromethoxy)phenyl]propanoic acid
CID 63651224
1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidine-3-carboxylic acid
CID 65072099
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid (CID 63701407) is 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid is CC(=O)N(C)C(C(=O)O)c1ccccc1OC(F)F.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid?
The InChIKey is WQINQQSJFSZVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO4/c1-7(16)15(2)10(11(17)18)8-5-3-4-6-9(8)19-12(13)14/h3-6,10,12H,1-2H3,(H,17,18).
What are the key properties of 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid?
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid has a molecular weight of 273.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 63701407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).