5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide

C11H11ClF3N3O2 — CID 175576668

IUPAC5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCC(=O)NC(F)C(F)F)c1
InChIInChI=1S/C11H11ClF3N3O2/c12-7-2-1-5(16)3-6(7)11(20)17-4-8(19)18-10(15)9(13)14/h1-3,9-10H,4,16H2,(H,17,20)(H,18,19)
InChIKeyDYOHUTPFHJHHGL-UHFFFAOYSA-N
MW309.68 g/mol
LogP1.33
Rot. Bonds5

About 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide

5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 175576668) has the molecular formula C11H11ClF3N3O2 and a molecular weight of 309.68 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide
PubChem CID175576668
Molecular FormulaC11H11ClF3N3O2
Molecular Weight309.68 g/mol
Exact Mass309.05
IUPAC Name5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCC(=O)NC(F)C(F)F)c1
InChIInChI=1S/C11H11ClF3N3O2/c12-7-2-1-5(16)3-6(7)11(20)17-4-8(19)18-10(15)9(13)14/h1-3,9-10H,4,16H2,(H,17,20)(H,18,19)
InChIKeyDYOHUTPFHJHHGL-UHFFFAOYSA-N
XLogP1.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-amino-2-chloro-N-(5,5,5-trifluoropentyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide (CID 175576668) is 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide is Nc1ccc(Cl)c(C(=O)NCC(=O)NC(F)C(F)F)c1.
What is the InChIKey of 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide?
The InChIKey is DYOHUTPFHJHHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O2/c12-7-2-1-5(16)3-6(7)11(20)17-4-8(19)18-10(15)9(13)14/h1-3,9-10H,4,16H2,(H,17,20)(H,18,19).
What are the key properties of 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide?
5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 309.68 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[2-oxo-2-(1,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 175576668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).