N,N-diethyl-3-(trifluoromethyl)benzamide

C12H14F3NO — CID 11831683

IUPACN,N-diethyl-3-(trifluoromethyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-3-16(4-2)11(17)9-6-5-7-10(8-9)12(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyMSFWJWHVBDTGRO-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.19
Rot. Bonds3

About N,N-diethyl-3-(trifluoromethyl)benzamide

N,N-diethyl-3-(trifluoromethyl)benzamide (PubChem CID 11831683) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N,N-diethyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(trifluoromethyl)benzamide
PubChem CID11831683
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN,N-diethyl-3-(trifluoromethyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-3-16(4-2)11(17)9-6-5-7-10(8-9)12(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyMSFWJWHVBDTGRO-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-diethyl-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N,N-diethyl-3-(trifluoromethyl)benzamide (CID 11831683) is N,N-diethyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N,N-diethyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N,N-diethyl-3-(trifluoromethyl)benzamide is CCN(CC)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-diethyl-3-(trifluoromethyl)benzamide?
The InChIKey is MSFWJWHVBDTGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-16(4-2)11(17)9-6-5-7-10(8-9)12(13,14)15/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-(trifluoromethyl)benzamide?
N,N-diethyl-3-(trifluoromethyl)benzamide has a molecular weight of 245.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11831683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).