N-(trifluoromethylcarbamoyl)benzamide

C9H7F3N2O2 — CID 154349389

IUPACN-(trifluoromethylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1ccccc1)NC(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)14-8(16)13-7(15)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15,16)
InChIKeyDXVYKHMFZLWTMU-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.65
Rot. Bonds1

About N-(trifluoromethylcarbamoyl)benzamide

N-(trifluoromethylcarbamoyl)benzamide (PubChem CID 154349389) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is N-(trifluoromethylcarbamoyl)benzamide.

Molecular Properties

Compound NameN-(trifluoromethylcarbamoyl)benzamide
PubChem CID154349389
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC NameN-(trifluoromethylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1ccccc1)NC(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)14-8(16)13-7(15)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15,16)
InChIKeyDXVYKHMFZLWTMU-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethylcarbamoyl)benzamide?
The IUPAC name of N-(trifluoromethylcarbamoyl)benzamide (CID 154349389) is N-(trifluoromethylcarbamoyl)benzamide.
What is the SMILES notation for N-(trifluoromethylcarbamoyl)benzamide?
The canonical SMILES for N-(trifluoromethylcarbamoyl)benzamide is O=C(NC(=O)c1ccccc1)NC(F)(F)F.
What is the InChIKey of N-(trifluoromethylcarbamoyl)benzamide?
The InChIKey is DXVYKHMFZLWTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c10-9(11,12)14-8(16)13-7(15)6-4-2-1-3-5-6/h1-5H,(H2,13,14,15,16).
What are the key properties of N-(trifluoromethylcarbamoyl)benzamide?
N-(trifluoromethylcarbamoyl)benzamide has a molecular weight of 232.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethylcarbamoyl)benzamide is sourced from PubChem (CID 154349389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).