(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide

C22H18F2N2O2 — CID 98796519

IUPAC(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1F)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C22H18F2N2O2/c23-20-8-4-9-21(24)19(20)10-11-22(27)26-14-16-5-3-7-18(13-16)28-15-17-6-1-2-12-25-17/h1-13H,14-15H2,(H,26,27)/b11-10+
InChIKeyHBFBLQCILWCPGO-ZHACJKMWSA-N
MW380.39 g/mol
LogP4.27
Rot. Bonds7

About (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide

(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide (PubChem CID 98796519) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
PubChem CID98796519
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1F)NCc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C22H18F2N2O2/c23-20-8-4-9-21(24)19(20)10-11-22(27)26-14-16-5-3-7-18(13-16)28-15-17-6-1-2-12-25-17/h1-13H,14-15H2,(H,26,27)/b11-10+
InChIKeyHBFBLQCILWCPGO-ZHACJKMWSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]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)-3-(3-bromophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 46467219
2-(2-fluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55709586
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507
2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 46470248
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
1,2-dimethyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110893221
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111131700
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 55709444
2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46477862
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide (CID 98796519) is (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1c(F)cccc1F)NCc1cccc(OCc2ccccn2)c1.
What is the InChIKey of (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide?
The InChIKey is HBFBLQCILWCPGO-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c23-20-8-4-9-21(24)19(20)10-11-22(27)26-14-16-5-3-7-18(13-16)28-15-17-6-1-2-12-25-17/h1-13H,14-15H2,(H,26,27)/b11-10+.
What are the key properties of (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide?
(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide has a molecular weight of 380.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 98796519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).