N-ethyl-N-methyl-3-(trifluoromethyl)benzamide

C11H12F3NO — CID 91726304

IUPACN-ethyl-N-methyl-3-(trifluoromethyl)benzamide
SMILESCCN(C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-3-15(2)10(16)8-5-4-6-9(7-8)11(12,13)14/h4-7H,3H2,1-2H3
InChIKeyHCYJYRBBNVVAMZ-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.80
Rot. Bonds2

About N-ethyl-N-methyl-3-(trifluoromethyl)benzamide

N-ethyl-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 91726304) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID91726304
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-ethyl-N-methyl-3-(trifluoromethyl)benzamide
SMILESCCN(C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-3-15(2)10(16)8-5-4-6-9(7-8)11(12,13)14/h4-7H,3H2,1-2H3
InChIKeyHCYJYRBBNVVAMZ-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-ethyl-N-methyl-3-(trifluoromethyl)benzamide (CID 91726304) is N-ethyl-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethyl-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-ethyl-N-methyl-3-(trifluoromethyl)benzamide is CCN(C)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is HCYJYRBBNVVAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-3-15(2)10(16)8-5-4-6-9(7-8)11(12,13)14/h4-7H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3-(trifluoromethyl)benzamide?
N-ethyl-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 231.22 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91726304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).