N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide

C13H16F3NO — CID 11402692

IUPACN,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c1-3-17(4-2)12(18)9-10-5-7-11(8-6-10)13(14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKeyIMQSASOVWHLBNW-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.12
Rot. Bonds4

About N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide

N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 11402692) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID11402692
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO/c1-3-17(4-2)12(18)9-10-5-7-11(8-6-10)13(14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKeyIMQSASOVWHLBNW-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 11402692) is N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide is CCN(CC)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IMQSASOVWHLBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-3-17(4-2)12(18)9-10-5-7-11(8-6-10)13(14,15)16/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 259.27 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11402692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).