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

C11H11ClFNO4 — CID 66172745

IUPAC3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C11H11ClFNO4/c1-11(18,10(16)17)5-14-9(15)8-6(12)3-2-4-7(8)13/h2-4,18H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyIKELLHFVISAEQI-UHFFFAOYSA-N
MW275.66 g/mol
LogP1.04
Rot. Bonds4

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

3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66172745) 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-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66172745
Molecular FormulaC11H11ClFNO4
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C11H11ClFNO4/c1-11(18,10(16)17)5-14-9(15)8-6(12)3-2-4-7(8)13/h2-4,18H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyIKELLHFVISAEQI-UHFFFAOYSA-N
XLogP1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747
2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498490
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
3-[(4-chloro-3-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107997969
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide
CID 108575170
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 113090462
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66172745) is 3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)c1c(F)cccc1Cl)C(=O)O.
What is the InChIKey of 3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is IKELLHFVISAEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4/c1-11(18,10(16)17)5-14-9(15)8-6(12)3-2-4-7(8)13/h2-4,18H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 275.66 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66172745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).