N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide

C11H10F3NO — CID 59069258

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO/c1-3-10(16)15-8-5-4-7(2)9(6-8)11(12,13)14/h3-6H,1H2,2H3,(H,15,16)
InChIKeyWMIMIYPEVGWRFM-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.14
Rot. Bonds2

About N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide

N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 59069258) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID59069258
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO/c1-3-10(16)15-8-5-4-7(2)9(6-8)11(12,13)14/h3-6H,1H2,2H3,(H,15,16)
InChIKeyWMIMIYPEVGWRFM-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide (CID 59069258) is N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is WMIMIYPEVGWRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-3-10(16)15-8-5-4-7(2)9(6-8)11(12,13)14/h3-6H,1H2,2H3,(H,15,16).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 229.20 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 59069258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).