3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide

C23H19F2NO2 — CID 3426946

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide
SMILESCc1cccc(NC(=O)C(=Cc2ccc(OC(F)F)cc2)c2ccccc2)c1
InChIInChI=1S/C23H19F2NO2/c1-16-6-5-9-19(14-16)26-22(27)21(18-7-3-2-4-8-18)15-17-10-12-20(13-11-17)28-23(24)25/h2-15,23H,1H3,(H,26,27)
InChIKeyXXSYORSVZZIKKZ-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.78
Rot. Bonds6

About 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide

3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide (PubChem CID 3426946) has the molecular formula C23H19F2NO2 and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide
PubChem CID3426946
Molecular FormulaC23H19F2NO2
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide
SMILESCc1cccc(NC(=O)C(=Cc2ccc(OC(F)F)cc2)c2ccccc2)c1
InChIInChI=1S/C23H19F2NO2/c1-16-6-5-9-19(14-16)26-22(27)21(18-7-3-2-4-8-18)15-17-10-12-20(13-11-17)28-23(24)25/h2-15,23H,1H3,(H,26,27)
InChIKeyXXSYORSVZZIKKZ-UHFFFAOYSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
CID 2928456
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
(E)-2-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylprop-2-enamide
CID 34033287
N,N'-bis(3-chlorophenyl)-2-[[4-(difluoromethoxy)phenyl]methylidene]propanediamide
CID 2445234
(E)-N-[2-(4-methylanilino)phenyl]-2-phenyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 108767321
[2-(3-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612551
ethyl 2-[[(E)-3-[4-(difluoromethoxy)phenyl]-2-phenylprop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate
CID 2311394
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
N-[1-(4-methoxyphenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 3797920

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide (CID 3426946) is 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide is Cc1cccc(NC(=O)C(=Cc2ccc(OC(F)F)cc2)c2ccccc2)c1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide?
The InChIKey is XXSYORSVZZIKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO2/c1-16-6-5-9-19(14-16)26-22(27)21(18-7-3-2-4-8-18)15-17-10-12-20(13-11-17)28-23(24)25/h2-15,23H,1H3,(H,26,27).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide?
3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide has a molecular weight of 379.41 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(3-methylphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 3426946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).