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

C18H16F3NO — CID 4615195

IUPAC3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C18H16F3NO/c1-12-6-7-14(13(2)10-12)8-9-17(23)22-16-5-3-4-15(11-16)18(19,20)21/h3-11H,1-2H3,(H,22,23)
InChIKeyJZIFGGOACFQCIL-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.97
Rot. Bonds3

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

3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 4615195) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID4615195
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C18H16F3NO/c1-12-6-7-14(13(2)10-12)8-9-17(23)22-16-5-3-4-15(11-16)18(19,20)21/h3-11H,1-2H3,(H,22,23)
InChIKeyJZIFGGOACFQCIL-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.97
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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Related Compounds

(E)-3-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6030994
3-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 4184992
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729
2-methoxyethyl N-[3-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]phenyl]carbamate
CID 47740999
2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 75269062
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
(E)-3-(2,4-dimethylphenyl)-N-thiophen-3-ylprop-2-enamide
CID 86973808
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 7926539
(Z)-N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)prop-2-enamide
CID 22301699

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 4615195) is 3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccc(C=CC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is JZIFGGOACFQCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-12-6-7-14(13(2)10-12)8-9-17(23)22-16-5-3-4-15(11-16)18(19,20)21/h3-11H,1-2H3,(H,22,23).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 319.33 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 4615195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).