2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide

C12H13F3N2O3 — CID 81340040

IUPAC2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCC(=O)N(C)c1ccccc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c1-8(18)17(2)10-6-4-3-5-9(10)11(19)16-20-7-12(13,14)15/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyIAVLMJNAOTWWOQ-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.89
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide

2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 81340040) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID81340040
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCC(=O)N(C)c1ccccc1C(=O)NOCC(F)(F)F
InChIInChI=1S/C12H13F3N2O3/c1-8(18)17(2)10-6-4-3-5-9(10)11(19)16-20-7-12(13,14)15/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyIAVLMJNAOTWWOQ-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]benzoic acid
CID 61170982
2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103755895
2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81341000
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
CID 81339728
3-bromo-2-chloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 113364345
2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
CID 115703920
N-(2,2,2-trifluoroethoxy)-1-benzothiophene-3-carboxamide
CID 81340322
2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
CID 43469297
2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81341001
N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide
CID 162581119
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211661

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide (CID 81340040) is 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide is CC(=O)N(C)c1ccccc1C(=O)NOCC(F)(F)F.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is IAVLMJNAOTWWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-8(18)17(2)10-6-4-3-5-9(10)11(19)16-20-7-12(13,14)15/h3-6H,7H2,1-2H3,(H,16,19).
What are the key properties of 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide?
2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 290.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 81340040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).