4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide

C26H24F2N2O5 — CID 2392872

IUPAC4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc(OC(F)F)c(OC)c3)cc2)cc1
InChIInChI=1S/C26H24F2N2O5/c1-3-34-21-12-10-20(11-13-21)30-25(32)18-6-8-19(9-7-18)29-24(31)15-5-17-4-14-22(35-26(27)28)23(16-17)33-2/h4-16,26H,3H2,1-2H3,(H,29,31)(H,30,32)/b15-5+
InChIKeyGRAPKCFYKIYGER-PJQLUOCWSA-N
MW482.48 g/mol
LogP5.60
Rot. Bonds10

About 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 2392872) has the molecular formula C26H24F2N2O5 and a molecular weight of 482.48 g/mol. Its IUPAC name is 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID2392872
Molecular FormulaC26H24F2N2O5
Molecular Weight482.48 g/mol
Exact Mass482.17
IUPAC Name4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc(OC(F)F)c(OC)c3)cc2)cc1
InChIInChI=1S/C26H24F2N2O5/c1-3-34-21-12-10-20(11-13-21)30-25(32)18-6-8-19(9-7-18)29-24(31)15-5-17-4-14-22(35-26(27)28)23(16-17)33-2/h4-16,26H,3H2,1-2H3,(H,29,31)(H,30,32)/b15-5+
InChIKeyGRAPKCFYKIYGER-PJQLUOCWSA-N
XLogP5.60
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 75850114
(E)-N-(2,5-diethoxyphenyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 26179996
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 2666277
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 8744762
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-pyridin-4-ylprop-2-enamide
CID 39953641
4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzamide
CID 8885040
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3,5-dimethylphenyl)prop-2-enamide
CID 7961050
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
N-[2-(difluoromethoxy)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 102603110
N-[4-[1-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]ethyl]phenyl]-4-fluorobenzamide
CID 76866561

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 2392872) is 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc(OC(F)F)c(OC)c3)cc2)cc1.
What is the InChIKey of 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is GRAPKCFYKIYGER-PJQLUOCWSA-N. The full InChI is InChI=1S/C26H24F2N2O5/c1-3-34-21-12-10-20(11-13-21)30-25(32)18-6-8-19(9-7-18)29-24(31)15-5-17-4-14-22(35-26(27)28)23(16-17)33-2/h4-16,26H,3H2,1-2H3,(H,29,31)(H,30,32)/b15-5+.
What are the key properties of 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 482.48 g/mol, XLogP of 5.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 2392872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).