2-(N-acetyl-2,4-difluoroanilino)acetic acid

C10H9F2NO3 — CID 28766218

IUPAC2-(N-acetyl-2,4-difluoroanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO3/c1-6(14)13(5-10(15)16)9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3,(H,15,16)
InChIKeyWDPGJXORZJWYBF-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.40
Rot. Bonds3

About 2-(N-acetyl-2,4-difluoroanilino)acetic acid

2-(N-acetyl-2,4-difluoroanilino)acetic acid (PubChem CID 28766218) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-difluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-acetyl-2,4-difluoroanilino)acetic acid
PubChem CID28766218
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name2-(N-acetyl-2,4-difluoroanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO3/c1-6(14)13(5-10(15)16)9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3,(H,15,16)
InChIKeyWDPGJXORZJWYBF-UHFFFAOYSA-N
XLogP1.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
2-(N-acetyl-2-fluoroanilino)acetic acid
CID 28765395
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 113178927
2-(N-acetyl-2,4-difluoroanilino)-N-(3-fluorophenyl)acetamide
CID 113179072
2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113178994
2-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)acetamide
CID 113179024
2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113179006
2-(N-acetyl-2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179021
N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063351
3-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113133420

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)acetic acid?
The IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)acetic acid (CID 28766218) is 2-(N-acetyl-2,4-difluoroanilino)acetic acid.
What is the SMILES notation for 2-(N-acetyl-2,4-difluoroanilino)acetic acid?
The canonical SMILES for 2-(N-acetyl-2,4-difluoroanilino)acetic acid is CC(=O)N(CC(=O)O)c1ccc(F)cc1F.
What is the InChIKey of 2-(N-acetyl-2,4-difluoroanilino)acetic acid?
The InChIKey is WDPGJXORZJWYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c1-6(14)13(5-10(15)16)9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-(N-acetyl-2,4-difluoroanilino)acetic acid?
2-(N-acetyl-2,4-difluoroanilino)acetic acid has a molecular weight of 229.18 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-difluoroanilino)acetic acid is sourced from PubChem (CID 28766218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).