3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C11H12F3N3O2 — CID 119737424

IUPAC3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESNc1cccc(C(=O)NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)6-17-9(18)5-16-10(19)7-2-1-3-8(15)4-7/h1-4H,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyHCGUTECNVUPSEY-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.68
Rot. Bonds4

About 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 119737424) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID119737424
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESNc1cccc(C(=O)NCC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)6-17-9(18)5-16-10(19)7-2-1-3-8(15)4-7/h1-4H,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyHCGUTECNVUPSEY-UHFFFAOYSA-N
XLogP0.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
3-amino-N-(5,5,5-trifluoropentyl)benzamide
CID 113326624
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55932655
2,3-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoxaline-6-carboxamide
CID 47066065
4-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 47102738
tert-butyl 2-[(3-aminobenzoyl)amino]acetate
CID 20745560
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 119737424) is 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is Nc1cccc(C(=O)NCC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is HCGUTECNVUPSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)6-17-9(18)5-16-10(19)7-2-1-3-8(15)4-7/h1-4H,5-6,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 275.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 119737424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).