2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid

C11H11F2NO3 — CID 63701401

IUPAC2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C11H11F2NO3/c1-6(15)14(2)10(11(16)17)7-4-3-5-8(12)9(7)13/h3-5,10H,1-2H3,(H,16,17)
InChIKeyCYGCFSFNJZUSBW-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.57
Rot. Bonds3

About 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid

2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid (PubChem CID 63701401) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
PubChem CID63701401
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C11H11F2NO3/c1-6(15)14(2)10(11(16)17)7-4-3-5-8(12)9(7)13/h3-5,10H,1-2H3,(H,16,17)
InChIKeyCYGCFSFNJZUSBW-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid (CID 63701401) is 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid is CC(=O)N(C)C(C(=O)O)c1cccc(F)c1F.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid?
The InChIKey is CYGCFSFNJZUSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-6(15)14(2)10(11(16)17)7-4-3-5-8(12)9(7)13/h3-5,10H,1-2H3,(H,16,17).
What are the key properties of 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid?
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid has a molecular weight of 243.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid is sourced from PubChem (CID 63701401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).