N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide

C11H13FN2O2 — CID 80718993

IUPACN-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(N)=O)c1F
InChIInChI=1S/C11H13FN2O2/c1-7-4-3-5-8(10(7)12)11(16)14(2)6-9(13)15/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyYLZUWHZTKFTUAF-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.69
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide

N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide (PubChem CID 80718993) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
PubChem CID80718993
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC NameN-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(N)=O)c1F
InChIInChI=1S/C11H13FN2O2/c1-7-4-3-5-8(10(7)12)11(16)14(2)6-9(13)15/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyYLZUWHZTKFTUAF-UHFFFAOYSA-N
XLogP0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide
CID 82086017
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81479696
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide
CID 107022665
3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
CID 112574760
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
CID 47210213
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
CID 81479946
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
2-fluoro-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81477116

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide (CID 80718993) is N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CC(N)=O)c1F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide?
The InChIKey is YLZUWHZTKFTUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-7-4-3-5-8(10(7)12)11(16)14(2)6-9(13)15/h3-5H,6H2,1-2H3,(H2,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide?
N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide has a molecular weight of 224.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 80718993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).