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

C19H18F3NO4 — CID 126415125

IUPAC(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1OC
InChIInChI=1S/C19H18F3NO4/c1-25-15-10-4-12(17(26-2)18(15)27-3)5-11-16(24)23-14-8-6-13(7-9-14)19(20,21)22/h4-11H,1-3H3,(H,23,24)/b11-5+
InChIKeyPUYSTYUAQTUJSX-VZUCSPMQSA-N
MW381.35 g/mol
LogP4.38
Rot. Bonds6

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

(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 126415125) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID126415125
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1OC
InChIInChI=1S/C19H18F3NO4/c1-25-15-10-4-12(17(26-2)18(15)27-3)5-11-16(24)23-14-8-6-13(7-9-14)19(20,21)22/h4-11H,1-3H3,(H,23,24)/b11-5+
InChIKeyPUYSTYUAQTUJSX-VZUCSPMQSA-N
XLogP4.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3285237
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7962122
N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3794891
(E)-3-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126241968
(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 22301745
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3559245
(E)-N-[4-(carbamoylamino)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46518654
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
(E)-N-(2,4-difluorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126413661
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 126415125) is (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1OC.
What is the InChIKey of (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is PUYSTYUAQTUJSX-VZUCSPMQSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-25-15-10-4-12(17(26-2)18(15)27-3)5-11-16(24)23-14-8-6-13(7-9-14)19(20,21)22/h4-11H,1-3H3,(H,23,24)/b11-5+.
What are the key properties of (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 381.35 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 126415125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).