2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

C11H12ClF3N2O2 — CID 55261445

IUPAC2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2/c12-7-1-2-8(9(16)5-7)10(18)17-3-4-19-6-11(13,14)15/h1-2,5H,3-4,6,16H2,(H,17,18)
InChIKeyXDNJGOYODUQDSD-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.23
Rot. Bonds5

About 2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (PubChem CID 55261445) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
PubChem CID55261445
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2/c12-7-1-2-8(9(16)5-7)10(18)17-3-4-19-6-11(13,14)15/h1-2,5H,3-4,6,16H2,(H,17,18)
InChIKeyXDNJGOYODUQDSD-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047
2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064
2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 86921725
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 134002903
3-amino-5-bromo-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 107872781
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427
2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 113347307
5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86832151
2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
CID 64927021

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (CID 55261445) is 2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is Nc1cc(Cl)ccc1C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The InChIKey is XDNJGOYODUQDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c12-7-1-2-8(9(16)5-7)10(18)17-3-4-19-6-11(13,14)15/h1-2,5H,3-4,6,16H2,(H,17,18).
What are the key properties of 2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide has a molecular weight of 296.68 g/mol, XLogP of 2.23, 5 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-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is sourced from PubChem (CID 55261445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).