(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide

C24H20F4N2O4 — CID 55708144

IUPAC(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H20F4N2O4/c25-23(26)33-20-9-5-18(21(12-20)34-24(27)28)6-10-22(31)30-14-16-3-7-19(8-4-16)32-15-17-2-1-11-29-13-17/h1-13,23-24H,14-15H2,(H,30,31)/b10-6+
InChIKeyXNYVCBAUPUKKBP-UXBLZVDNSA-N
MW476.43 g/mol
LogP5.19
Rot. Bonds11

About (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide (PubChem CID 55708144) has the molecular formula C24H20F4N2O4 and a molecular weight of 476.43 g/mol. Its IUPAC name is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide
PubChem CID55708144
Molecular FormulaC24H20F4N2O4
Molecular Weight476.43 g/mol
Exact Mass476.14
IUPAC Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)NCc1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C24H20F4N2O4/c25-23(26)33-20-9-5-18(21(12-20)34-24(27)28)6-10-22(31)30-14-16-3-7-19(8-4-16)32-15-17-2-1-11-29-13-17/h1-13,23-24H,14-15H2,(H,30,31)/b10-6+
InChIKeyXNYVCBAUPUKKBP-UXBLZVDNSA-N
XLogP5.19
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide with MolForge

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Related Compounds

1-[[4-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 36873297
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9105021
(E)-3-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 22087304
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 35556031
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480899
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543
4-[[[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 55591130
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 26130489
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide (CID 55708144) is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)NCc1ccc(OCc2cccnc2)cc1.
What is the InChIKey of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide?
The InChIKey is XNYVCBAUPUKKBP-UXBLZVDNSA-N. The full InChI is InChI=1S/C24H20F4N2O4/c25-23(26)33-20-9-5-18(21(12-20)34-24(27)28)6-10-22(31)30-14-16-3-7-19(8-4-16)32-15-17-2-1-11-29-13-17/h1-13,23-24H,14-15H2,(H,30,31)/b10-6+.
What are the key properties of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide?
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide has a molecular weight of 476.43 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 55708144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).