2-(3,4-difluoroanilino)-2-phenylacetic acid

C14H11F2NO2 — CID 70136310

IUPAC2-(3,4-difluoroanilino)-2-phenylacetic acid
SMILESO=C(O)C(Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H11F2NO2/c15-11-7-6-10(8-12(11)16)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19)
InChIKeyITKKQPPURQJQAX-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.20
Rot. Bonds4

About 2-(3,4-difluoroanilino)-2-phenylacetic acid

2-(3,4-difluoroanilino)-2-phenylacetic acid (PubChem CID 70136310) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-2-phenylacetic acid
PubChem CID70136310
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name2-(3,4-difluoroanilino)-2-phenylacetic acid
SMILESO=C(O)C(Nc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H11F2NO2/c15-11-7-6-10(8-12(11)16)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19)
InChIKeyITKKQPPURQJQAX-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536
2-phenyl-2-(2,4,5-trifluoroanilino)acetic acid
CID 103249563
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
2-(2,5-difluoroanilino)-2-phenylacetic acid
CID 58556979
2-(5-chloro-2-fluoroanilino)-2-phenylacetic acid
CID 103237920
(2S)-2-(3,4-difluoroanilino)-2-fluoroacetic acid
CID 87546638
2-anilino-2-(3,4,5-trifluorophenyl)acetic acid
CID 63076629
2-(3-fluoro-4-methylanilino)-2-phenylacetamide
CID 47137894
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-2-phenylacetic acid?
The IUPAC name of 2-(3,4-difluoroanilino)-2-phenylacetic acid (CID 70136310) is 2-(3,4-difluoroanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(3,4-difluoroanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(3,4-difluoroanilino)-2-phenylacetic acid is O=C(O)C(Nc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluoroanilino)-2-phenylacetic acid?
The InChIKey is ITKKQPPURQJQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-11-7-6-10(8-12(11)16)17-13(14(18)19)9-4-2-1-3-5-9/h1-8,13,17H,(H,18,19).
What are the key properties of 2-(3,4-difluoroanilino)-2-phenylacetic acid?
2-(3,4-difluoroanilino)-2-phenylacetic acid has a molecular weight of 263.24 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-2-phenylacetic acid is sourced from PubChem (CID 70136310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).