N-acetyl-4-(trifluoromethyl)benzamide

C10H8F3NO2 — CID 134861958

IUPACN-acetyl-4-(trifluoromethyl)benzamide
SMILESCC(=O)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3NO2/c1-6(15)14-9(16)7-2-4-8(5-3-7)10(11,12)13/h2-5H,1H3,(H,14,15,16)
InChIKeyLOKQANYQXNITRB-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.98
Rot. Bonds1

About N-acetyl-4-(trifluoromethyl)benzamide

N-acetyl-4-(trifluoromethyl)benzamide (PubChem CID 134861958) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is N-acetyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-acetyl-4-(trifluoromethyl)benzamide
PubChem CID134861958
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC NameN-acetyl-4-(trifluoromethyl)benzamide
SMILESCC(=O)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3NO2/c1-6(15)14-9(16)7-2-4-8(5-3-7)10(11,12)13/h2-5H,1H3,(H,14,15,16)
InChIKeyLOKQANYQXNITRB-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-acetyl-4-(trifluoromethyl)benzamide (CID 134861958) is N-acetyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-acetyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-acetyl-4-(trifluoromethyl)benzamide is CC(=O)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-acetyl-4-(trifluoromethyl)benzamide?
The InChIKey is LOKQANYQXNITRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-6(15)14-9(16)7-2-4-8(5-3-7)10(11,12)13/h2-5H,1H3,(H,14,15,16).
What are the key properties of N-acetyl-4-(trifluoromethyl)benzamide?
N-acetyl-4-(trifluoromethyl)benzamide has a molecular weight of 231.17 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134861958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).