3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

C20H18FNO3 — CID 71944511

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESCc1ccc(CN(C)C(=O)C=Cc2ccc(-c3ccccc3F)o2)o1
InChIInChI=1S/C20H18FNO3/c1-14-7-8-16(24-14)13-22(2)20(23)12-10-15-9-11-19(25-15)17-5-3-4-6-18(17)21/h3-12H,13H2,1-2H3
InChIKeyCSXAKRAIWXQQQO-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.66
Rot. Bonds5

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (PubChem CID 71944511) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
PubChem CID71944511
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESCc1ccc(CN(C)C(=O)C=Cc2ccc(-c3ccccc3F)o2)o1
InChIInChI=1S/C20H18FNO3/c1-14-7-8-16(24-14)13-22(2)20(23)12-10-15-9-11-19(25-15)17-5-3-4-6-18(17)21/h3-12H,13H2,1-2H3
InChIKeyCSXAKRAIWXQQQO-UHFFFAOYSA-N
XLogP4.66
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 102603432
N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 713006
(E)-N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 7779970
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] (E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoate
CID 9385190
2-(2-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784513
methyl (2R)-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9278098
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 75981221
N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 71899302
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 56810298
(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17457554
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
CID 9185084
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 31151745

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (CID 71944511) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide is Cc1ccc(CN(C)C(=O)C=Cc2ccc(-c3ccccc3F)o2)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The InChIKey is CSXAKRAIWXQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-14-7-8-16(24-14)13-22(2)20(23)12-10-15-9-11-19(25-15)17-5-3-4-6-18(17)21/h3-12H,13H2,1-2H3.
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide has a molecular weight of 339.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 71944511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).