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

C17H11F3N2O — CID 3903026

IUPACN-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#Cc1ccc(NC(=O)C=Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-3-1-2-12(10-14)6-9-16(23)22-15-7-4-13(11-21)5-8-15/h1-10H,(H,22,23)
InChIKeyINAHZUGWSLBMDP-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.23
Rot. Bonds3

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

N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 3903026) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID3903026
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC NameN-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESN#Cc1ccc(NC(=O)C=Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-3-1-2-12(10-14)6-9-16(23)22-15-7-4-13(11-21)5-8-15/h1-10H,(H,22,23)
InChIKeyINAHZUGWSLBMDP-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-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4987366
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)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085
(4-cyanophenyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5353230
ethyl 4-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoate
CID 3386200
(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7922480
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
4-[3-oxo-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]benzonitrile
CID 5145404
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 74440295
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 3903026) is N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is N#Cc1ccc(NC(=O)C=Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is INAHZUGWSLBMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)14-3-1-2-12(10-14)6-9-16(23)22-15-7-4-13(11-21)5-8-15/h1-10H,(H,22,23).
What are the key properties of N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
N-(4-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-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 3903026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).