N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide

C10H9F3N2O2 — CID 82086017

IUPACN-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H9F3N2O2/c1-15(4-7(14)16)10(17)5-2-3-6(11)9(13)8(5)12/h2-3H,4H2,1H3,(H2,14,16)
InChIKeySCDXKHCNVXPZLX-UHFFFAOYSA-N
MW246.19 g/mol
LogP0.66
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide

N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide (PubChem CID 82086017) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide
PubChem CID82086017
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC NameN-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H9F3N2O2/c1-15(4-7(14)16)10(17)5-2-3-6(11)9(13)8(5)12/h2-3H,4H2,1H3,(H2,14,16)
InChIKeySCDXKHCNVXPZLX-UHFFFAOYSA-N
XLogP0.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
CID 80718993
2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 67489578
N-(cyanomethyl)-2,3,4-trifluoro-N-methylbenzamide
CID 79017323
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
2,3,4-trifluoro-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)benzamide
CID 108797327
N-[2-(2-chloroethoxy)ethyl]-2,3,4-trifluoro-N-methylbenzamide
CID 114242756
2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
CID 99605218
N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide
CID 107022665
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
2-[methyl-(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 79749348
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
(Z)-2-ethyl-1-(2,3,4-trifluorophenyl)but-2-en-1-one
CID 103447577

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide (CID 82086017) is N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide is CN(CC(N)=O)C(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide?
The InChIKey is SCDXKHCNVXPZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-15(4-7(14)16)10(17)5-2-3-6(11)9(13)8(5)12/h2-3H,4H2,1H3,(H2,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide?
N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide has a molecular weight of 246.19 g/mol, XLogP of 0.66, 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)-2,3,4-trifluoro-N-methylbenzamide is sourced from PubChem (CID 82086017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).