N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide

C13H16F3NO — CID 21312316

IUPACN-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCCc1cc(NC(=O)C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-4-9-7-10(17-12(18)8(2)3)5-6-11(9)13(14,15)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyQWWYXTNUQIZOOB-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.86
Rot. Bonds3

About N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide

N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 21312316) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID21312316
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCCc1cc(NC(=O)C(C)C)ccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-4-9-7-10(17-12(18)8(2)3)5-6-11(9)13(14,15)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyQWWYXTNUQIZOOB-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 21312316) is N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide is CCc1cc(NC(=O)C(C)C)ccc1C(F)(F)F.
What is the InChIKey of N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is QWWYXTNUQIZOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-4-9-7-10(17-12(18)8(2)3)5-6-11(9)13(14,15)16/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide?
N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 259.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-4-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 21312316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).