2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid

C11H11ClFNO3 — CID 114843777

IUPAC2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO3/c1-6(15)14(2)10(11(16)17)8-5-7(12)3-4-9(8)13/h3-5,10H,1-2H3,(H,16,17)
InChIKeyAZBNMGPAWCWBRR-UHFFFAOYSA-N
MW259.66 g/mol
LogP2.08
Rot. Bonds3

About 2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid

2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid (PubChem CID 114843777) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid
PubChem CID114843777
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H11ClFNO3/c1-6(15)14(2)10(11(16)17)8-5-7(12)3-4-9(8)13/h3-5,10H,1-2H3,(H,16,17)
InChIKeyAZBNMGPAWCWBRR-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81146137
2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
2-[acetyl(ethyl)amino]-2-(2,5-difluorophenyl)acetic acid
CID 63701423
2-chloro-2-(5-chloro-2-fluorophenyl)acetic acid
CID 53405228
2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid
CID 114843787
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid
CID 114075737
1-(2,5-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 116859934
2-(5-chloro-2-fluorophenyl)butanedioic acid
CID 165450975

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid (CID 114843777) is 2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid is CC(=O)N(C)C(C(=O)O)c1cc(Cl)ccc1F.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid?
The InChIKey is AZBNMGPAWCWBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c1-6(15)14(2)10(11(16)17)8-5-7(12)3-4-9(8)13/h3-5,10H,1-2H3,(H,16,17).
What are the key properties of 2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid?
2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid has a molecular weight of 259.66 g/mol, XLogP of 2.08, 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-(5-chloro-2-fluorophenyl)acetic acid is sourced from PubChem (CID 114843777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).