2-amino-N-(2,2,2-trifluoroethyl)benzamide

C9H9F3N2O — CID 7064003

IUPAC2-amino-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)6-3-1-2-4-7(6)13/h1-4H,5,13H2,(H,14,15)
InChIKeyJSMHDOKRNGWLSV-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.56
Rot. Bonds2

About 2-amino-N-(2,2,2-trifluoroethyl)benzamide

2-amino-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 7064003) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID7064003
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)6-3-1-2-4-7(6)13/h1-4H,5,13H2,(H,14,15)
InChIKeyJSMHDOKRNGWLSV-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)benzamide (CID 7064003) is 2-amino-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)benzamide is Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is JSMHDOKRNGWLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)6-3-1-2-4-7(6)13/h1-4H,5,13H2,(H,14,15).
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)benzamide?
2-amino-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 218.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 7064003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).