3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid

C11H11ClFNO4 — CID 106107187

IUPAC3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C11H11ClFNO4/c1-18-8(11(16)17)5-14-10(15)9-6(12)3-2-4-7(9)13/h2-4,8H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyVABHMUKNAHJVJO-UHFFFAOYSA-N
MW275.66 g/mol
LogP1.31
Rot. Bonds5

About 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid

3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid (PubChem CID 106107187) has the molecular formula C11H11ClFNO4 and a molecular weight of 275.66 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
PubChem CID106107187
Molecular FormulaC11H11ClFNO4
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C11H11ClFNO4/c1-18-8(11(16)17)5-14-10(15)9-6(12)3-2-4-7(9)13/h2-4,8H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyVABHMUKNAHJVJO-UHFFFAOYSA-N
XLogP1.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
CID 114144294
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90597986
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
3-[(2,4-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107462

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid (CID 106107187) is 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid is COC(CNC(=O)c1c(F)cccc1Cl)C(=O)O.
What is the InChIKey of 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid?
The InChIKey is VABHMUKNAHJVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4/c1-18-8(11(16)17)5-14-10(15)9-6(12)3-2-4-7(9)13/h2-4,8H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid?
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid has a molecular weight of 275.66 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).