2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid

C11H12FNO3 — CID 70501184

IUPAC2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
SMILESCN(C)C(=O)c1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C11H12FNO3/c1-13(2)11(16)8-4-3-7(6-10(14)15)9(12)5-8/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyLHBOYIVBUAEDMX-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.15
Rot. Bonds3

About 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid

2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid (PubChem CID 70501184) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
PubChem CID70501184
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
SMILESCN(C)C(=O)c1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C11H12FNO3/c1-13(2)11(16)8-4-3-7(6-10(14)15)9(12)5-8/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyLHBOYIVBUAEDMX-UHFFFAOYSA-N
XLogP1.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide
CID 135152216
2-[4-(2,2-dimethylpropanoyl)-2-fluorophenyl]acetic acid
CID 54413653
4-[(dimethylamino)methyl]-3-fluorobenzoic acid
CID 63068051
4-ethyl-N,N,3-trimethylbenzamide
CID 150723672
4-aminosulfanyl-3-fluoro-N,N-dimethylbenzamide;ethane
CID 142522795
[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 87890157
3-fluoro-N,N-dimethyl-4-sulfamoylbenzamide
CID 137443191
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 167530331
4-(chloromethyl)-N,N-diethyl-3-fluorobenzamide
CID 155140398
2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid
CID 87890163
N,N,3-trimethyl-4-(2-methylsulfanylethyl)benzamide
CID 70933125

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid (CID 70501184) is 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid is CN(C)C(=O)c1ccc(CC(=O)O)c(F)c1.
What is the InChIKey of 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid?
The InChIKey is LHBOYIVBUAEDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-13(2)11(16)8-4-3-7(6-10(14)15)9(12)5-8/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid?
2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid has a molecular weight of 225.22 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid is sourced from PubChem (CID 70501184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).