N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C18H17F2NO4 — CID 75618952

IUPACN-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2c(F)cccc2F)cc(OC)c1OC
InChIInChI=1S/C18H17F2NO4/c1-23-14-9-11(10-15(24-2)18(14)25-3)7-8-16(22)21-17-12(19)5-4-6-13(17)20/h4-10H,1-3H3,(H,21,22)
InChIKeyRXPGRMWFZITMLW-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.64
Rot. Bonds6

About N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 75618952) has the molecular formula C18H17F2NO4 and a molecular weight of 349.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID75618952
Molecular FormulaC18H17F2NO4
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC NameN-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2c(F)cccc2F)cc(OC)c1OC
InChIInChI=1S/C18H17F2NO4/c1-23-14-9-11(10-15(24-2)18(14)25-3)7-8-16(22)21-17-12(19)5-4-6-13(17)20/h4-10H,1-3H3,(H,21,22)
InChIKeyRXPGRMWFZITMLW-UHFFFAOYSA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,6-difluorophenyl)-3-(3,4,5-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

(E)-N-(2,3-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 60596805
(E)-N-(2,6-difluorophenyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 51188992
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359871
(E)-3-(3-hydroxyphenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359576
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
(E)-3-(3-hydroxyphenyl)-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360057
(E)-N-(5-acetamido-2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 39976511
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 75618952) is N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2c(F)cccc2F)cc(OC)c1OC.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is RXPGRMWFZITMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4/c1-23-14-9-11(10-15(24-2)18(14)25-3)7-8-16(22)21-17-12(19)5-4-6-13(17)20/h4-10H,1-3H3,(H,21,22).
What are the key properties of N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 349.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 75618952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).