(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide

C20H19F4NO5 — CID 30847487

IUPAC(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
SMILESCOc1cc(C)c(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1OC
InChIInChI=1S/C20H19F4NO5/c1-11-8-16(27-2)17(28-3)10-14(11)25-18(26)7-5-12-4-6-13(29-19(21)22)9-15(12)30-20(23)24/h4-10,19-20H,1-3H3,(H,25,26)/b7-5+
InChIKeyIMOOWFRYLYIZLE-FNORWQNLSA-N
MW429.37 g/mol
LogP4.87
Rot. Bonds9

About (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide (PubChem CID 30847487) has the molecular formula C20H19F4NO5 and a molecular weight of 429.37 g/mol. Its IUPAC name is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
PubChem CID30847487
Molecular FormulaC20H19F4NO5
Molecular Weight429.37 g/mol
Exact Mass429.12
IUPAC Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
SMILESCOc1cc(C)c(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1OC
InChIInChI=1S/C20H19F4NO5/c1-11-8-16(27-2)17(28-3)10-14(11)25-18(26)7-5-12-4-6-13(29-19(21)22)9-15(12)30-20(23)24/h4-10,19-20H,1-3H3,(H,25,26)/b7-5+
InChIKeyIMOOWFRYLYIZLE-FNORWQNLSA-N
XLogP4.87
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129
(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide
CID 60605508
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide
CID 55766125
4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 8571908
(E)-N-[4-(difluoromethoxy)phenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9192668
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 18226955
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9105021
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 134045681
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]prop-2-enamide
CID 24580445
methyl 3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoylamino]-4-methylbenzoate
CID 4811539
(E)-3-(2,6-dichlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 26877037

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide (CID 30847487) is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide is COc1cc(C)c(NC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1OC.
What is the InChIKey of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide?
The InChIKey is IMOOWFRYLYIZLE-FNORWQNLSA-N. The full InChI is InChI=1S/C20H19F4NO5/c1-11-8-16(27-2)17(28-3)10-14(11)25-18(26)7-5-12-4-6-13(29-19(21)22)9-15(12)30-20(23)24/h4-10,19-20H,1-3H3,(H,25,26)/b7-5+.
What are the key properties of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide?
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide has a molecular weight of 429.37 g/mol, XLogP of 4.87, 9 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-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 30847487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).