(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide

C21H17F4NO5 — CID 55360216

IUPAC(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C21H17F4NO5/c22-20(23)30-15-7-5-14(18(11-15)31-21(24)25)6-8-19(27)26(12-16-3-1-9-28-16)13-17-4-2-10-29-17/h1-11,20-21H,12-13H2/b8-6+
InChIKeyQNQPFWBLYFLJTG-SOFGYWHQSA-N
MW439.36 g/mol
LogP5.32
Rot. Bonds10

About (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide (PubChem CID 55360216) has the molecular formula C21H17F4NO5 and a molecular weight of 439.36 g/mol. Its IUPAC name is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide
PubChem CID55360216
Molecular FormulaC21H17F4NO5
Molecular Weight439.36 g/mol
Exact Mass439.10
IUPAC Name(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C21H17F4NO5/c22-20(23)30-15-7-5-14(18(11-15)31-21(24)25)6-8-19(27)26(12-16-3-1-9-28-16)13-17-4-2-10-29-17/h1-11,20-21H,12-13H2/b8-6+
InChIKeyQNQPFWBLYFLJTG-SOFGYWHQSA-N
XLogP5.32
TPSA65.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 55.32
H-Bond Donors ≤ 50
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,N-bis(furan-2-ylmethyl)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-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 99181591
N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 85492334
(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830822
(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 60553181
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 76867605
(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830823
(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 46638145
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34984603
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480899
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylprop-2-enamide
CID 94636665
(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one
CID 7947943
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
CID 56811678

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide (CID 55360216) is (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is QNQPFWBLYFLJTG-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H17F4NO5/c22-20(23)30-15-7-5-14(18(11-15)31-21(24)25)6-8-19(27)26(12-16-3-1-9-28-16)13-17-4-2-10-29-17/h1-11,20-21H,12-13H2/b8-6+.
What are the key properties of (E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide?
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N,N-bis(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 439.36 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 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,N-bis(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 55360216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).