2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid

C11H11Cl2NO3 — CID 63703488

IUPAC2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-6(15)14(2)10(11(16)17)9-7(12)4-3-5-8(9)13/h3-5,10H,1-2H3,(H,16,17)
InChIKeyLUSSXQJPHNYJSZ-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.60
Rot. Bonds3

About 2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid

2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid (PubChem CID 63703488) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid
PubChem CID63703488
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-6(15)14(2)10(11(16)17)9-7(12)4-3-5-8(9)13/h3-5,10H,1-2H3,(H,16,17)
InChIKeyLUSSXQJPHNYJSZ-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
2-[acetyl(methyl)amino]-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81146137
2-[acetyl(methyl)amino]-2-(2-methylphenyl)acetic acid
CID 63703755
2-[acetyl(methyl)amino]-2-(5-chloro-2-fluorophenyl)acetic acid
CID 114843777
2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
CID 63702725
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 99783869
(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one
CID 122398641
2-(2-chloro-6-hydroxyphenyl)propanoic acid
CID 84733802

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid (CID 63703488) is 2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid is CC(=O)N(C)C(C(=O)O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid?
The InChIKey is LUSSXQJPHNYJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-6(15)14(2)10(11(16)17)9-7(12)4-3-5-8(9)13/h3-5,10H,1-2H3,(H,16,17).
What are the key properties of 2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid?
2-[acetyl(methyl)amino]-2-(2,6-dichlorophenyl)acetic acid has a molecular weight of 276.12 g/mol, XLogP of 2.60, 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-(2,6-dichlorophenyl)acetic acid is sourced from PubChem (CID 63703488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).