N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide

C10H11FN2O2 — CID 47210213

IUPACN-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1cccc(F)c1
InChIInChI=1S/C10H11FN2O2/c1-13(6-9(12)14)10(15)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H2,12,14)
InChIKeyJRZLSHFYRSOXDT-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.38
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide

N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide (PubChem CID 47210213) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
PubChem CID47210213
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC NameN-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1cccc(F)c1
InChIInChI=1S/C10H11FN2O2/c1-13(6-9(12)14)10(15)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H2,12,14)
InChIKeyJRZLSHFYRSOXDT-UHFFFAOYSA-N
XLogP0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-3-fluoro-N-methylbenzamide
CID 80659799
3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 154815656
pentyl 2-[(3-fluorobenzoyl)-methylamino]acetate
CID 91711909
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
CID 55243516
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
CID 80718993
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide
CID 4743909
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide (CID 47210213) is N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide is CN(CC(N)=O)C(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide?
The InChIKey is JRZLSHFYRSOXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-13(6-9(12)14)10(15)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3,(H2,12,14).
What are the key properties of N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide?
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide has a molecular weight of 210.21 g/mol, XLogP of 0.38, 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)-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 47210213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).