3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide

C10H11F3N2O2 — CID 82710794

IUPAC3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNOCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-15-5-7-2-1-3-8(4-7)9(14)16/h1-4,15H,5-6H2,(H2,14,16)
InChIKeyKBNTYBQVICCYKZ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.37
Rot. Bonds5

About 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide

3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide (PubChem CID 82710794) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide
PubChem CID82710794
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNOCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-15-5-7-2-1-3-8(4-7)9(14)16/h1-4,15H,5-6H2,(H2,14,16)
InChIKeyKBNTYBQVICCYKZ-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2,2,2-trifluoroethoxyamino)methyl]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

3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
3-[(4,4,4-trifluorobutylamino)methyl]benzamide
CID 79039829
4-[(2,2,2-trifluoroethoxyamino)methyl]benzoic acid
CID 82711773
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzamide
CID 113462736
3-[[[N'-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111871583
3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 61220189
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]benzamide
CID 46699470
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[[(1-methylcyclopropyl)amino]methyl]benzamide
CID 115635058
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide?
The IUPAC name of 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide (CID 82710794) is 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide.
What is the SMILES notation for 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide?
The canonical SMILES for 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide is NC(=O)c1cccc(CNOCC(F)(F)F)c1.
What is the InChIKey of 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide?
The InChIKey is KBNTYBQVICCYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)6-17-15-5-7-2-1-3-8(4-7)9(14)16/h1-4,15H,5-6H2,(H2,14,16).
What are the key properties of 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide?
3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide has a molecular weight of 248.20 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide is sourced from PubChem (CID 82710794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).