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

C17H11F3N2O — CID 4987366

IUPACN-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#Cc1cccc(NC(=O)C=Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-5-1-3-12(9-14)7-8-16(23)22-15-6-2-4-13(10-15)11-21/h1-10H,(H,22,23)
InChIKeyGIBSVLVVDUKAFI-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.23
Rot. Bonds3

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

N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 4987366) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID4987366
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC NameN-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#Cc1cccc(NC(=O)C=Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-5-1-3-12(9-14)7-8-16(23)22-15-6-2-4-13(10-15)11-21/h1-10H,(H,22,23)
InChIKeyGIBSVLVVDUKAFI-UHFFFAOYSA-N
XLogP4.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3903026
4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 13228845
N-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2887493
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
(E)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085
N-(3-cyanophenyl)but-2-enamide
CID 72539251
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
(4-cyanophenyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5353230
(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 742699
(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2679050
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 4987366) is N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is N#Cc1cccc(NC(=O)C=Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is GIBSVLVVDUKAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)14-5-1-3-12(9-14)7-8-16(23)22-15-6-2-4-13(10-15)11-21/h1-10H,(H,22,23).
What are the key properties of N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 316.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 4987366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).