2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid

C12H13F2NO3 — CID 63701942

IUPAC2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO3/c1-3-15(7(2)16)11(12(17)18)10-8(13)5-4-6-9(10)14/h4-6,11H,3H2,1-2H3,(H,17,18)
InChIKeyGCYNFJLGBBDHTN-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.96
Rot. Bonds4

About 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid

2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid (PubChem CID 63701942) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid
PubChem CID63701942
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO3/c1-3-15(7(2)16)11(12(17)18)10-8(13)5-4-6-9(10)14/h4-6,11H,3H2,1-2H3,(H,17,18)
InChIKeyGCYNFJLGBBDHTN-UHFFFAOYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(ethyl)amino]-2-(2,5-difluorophenyl)acetic acid
CID 63701423
2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63704797
2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
CID 63702725
2-[acetyl(ethyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104773
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide
CID 58403911
2-[acetyl(ethyl)amino]-2-(3,5-dichlorophenyl)acetic acid
CID 63702733
2-[acetyl(ethyl)amino]-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 115350944
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
2-(N-ethylanilino)-2-(2-fluorophenyl)acetic acid
CID 84746440
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid (CID 63701942) is 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid is CCN(C(C)=O)C(C(=O)O)c1c(F)cccc1F.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid?
The InChIKey is GCYNFJLGBBDHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c1-3-15(7(2)16)11(12(17)18)10-8(13)5-4-6-9(10)14/h4-6,11H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid?
2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid has a molecular weight of 257.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid is sourced from PubChem (CID 63701942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).