2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid

C15H13F2NO3 — CID 60993011

IUPAC2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
SMILESCOc1cccc(NC(C(=O)O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13F2NO3/c1-21-11-4-2-3-10(8-11)18-14(15(19)20)9-5-6-12(16)13(17)7-9/h2-8,14,18H,1H3,(H,19,20)
InChIKeyWDRRONGZCQLZFQ-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.21
Rot. Bonds5

About 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid

2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid (PubChem CID 60993011) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
PubChem CID60993011
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
SMILESCOc1cccc(NC(C(=O)O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H13F2NO3/c1-21-11-4-2-3-10(8-11)18-14(15(19)20)9-5-6-12(16)13(17)7-9/h2-8,14,18H,1H3,(H,19,20)
InChIKeyWDRRONGZCQLZFQ-UHFFFAOYSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 62122028
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(3-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131901
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 60995627
2-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)acetic acid
CID 65026525
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid (CID 60993011) is 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid is COc1cccc(NC(C(=O)O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid?
The InChIKey is WDRRONGZCQLZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-21-11-4-2-3-10(8-11)18-14(15(19)20)9-5-6-12(16)13(17)7-9/h2-8,14,18H,1H3,(H,19,20).
What are the key properties of 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid?
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid has a molecular weight of 293.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid is sourced from PubChem (CID 60993011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).