2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid

C15H13F2NO3 — CID 60992175

IUPAC2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H13F2NO3/c16-15(17)21-12-9-5-4-8-11(12)13(14(19)20)18-10-6-2-1-3-7-10/h1-9,13,15,18H,(H,19,20)
InChIKeyLWDHLOXCTILWAI-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.53
Rot. Bonds6

About 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid

2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid (PubChem CID 60992175) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid
PubChem CID60992175
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H13F2NO3/c16-15(17)21-12-9-5-4-8-11(12)13(14(19)20)18-10-6-2-1-3-7-10/h1-9,13,15,18H,(H,19,20)
InChIKeyLWDHLOXCTILWAI-UHFFFAOYSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-anilino-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-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-anilino-2-(4-fluoro-2-methylphenyl)acetic acid
CID 62136008
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797
2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid
CID 61455167
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
3-acetamido-3-[2-(difluoromethoxy)phenyl]propanoic acid
CID 63651224
ethyl 2-(butan-2-ylamino)-2-[2-(difluoromethoxy)phenyl]acetate
CID 61023653
2-anilino-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54890074
4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid (CID 60992175) is 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid is O=C(O)C(Nc1ccccc1)c1ccccc1OC(F)F.
What is the InChIKey of 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid?
The InChIKey is LWDHLOXCTILWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-15(17)21-12-9-5-4-8-11(12)13(14(19)20)18-10-6-2-1-3-7-10/h1-9,13,15,18H,(H,19,20).
What are the key properties of 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid?
2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid has a molecular weight of 293.27 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-[2-(difluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 60992175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).