2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C12H13ClF3N3O2 — CID 61110031

IUPAC2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H13ClF3N3O2/c1-19(5-10(20)18-6-12(14,15)16)11(21)8-3-2-7(13)4-9(8)17/h2-4H,5-6,17H2,1H3,(H,18,20)
InChIKeyCPSLRWAHEVLKSD-UHFFFAOYSA-N
MW323.70 g/mol
LogP1.67
Rot. Bonds4

About 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 61110031) has the molecular formula C12H13ClF3N3O2 and a molecular weight of 323.70 g/mol. Its IUPAC name is 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID61110031
Molecular FormulaC12H13ClF3N3O2
Molecular Weight323.70 g/mol
Exact Mass323.06
IUPAC Name2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H13ClF3N3O2/c1-19(5-10(20)18-6-12(14,15)16)11(21)8-3-2-7(13)4-9(8)17/h2-4H,5-6,17H2,1H3,(H,18,20)
InChIKeyCPSLRWAHEVLKSD-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61107945
2-amino-4-fluoro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 63110244
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-amino-5-hydroxy-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 107074540
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 166229992
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
4-chloro-N,6-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyridine-3-carboxamide
CID 81228294
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107465978
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 61110031) is 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is CN(CC(=O)NCC(F)(F)F)C(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is CPSLRWAHEVLKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O2/c1-19(5-10(20)18-6-12(14,15)16)11(21)8-3-2-7(13)4-9(8)17/h2-4H,5-6,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?
2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 323.70 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 61110031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).