(E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C20H21FN2O3 — CID 42921740

IUPAC(E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C20H21FN2O3/c1-13-10-17(13)18-8-6-16(26-18)7-9-20(25)23(2)12-19(24)22-15-5-3-4-14(21)11-15/h3-9,11,13,17H,10,12H2,1-2H3,(H,22,24)/b9-7+
InChIKeyGXXNPYFLEBYCFA-VQHVLOKHSA-N
MW356.40 g/mol
LogP3.65
Rot. Bonds6

About (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 42921740) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID42921740
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C20H21FN2O3/c1-13-10-17(13)18-8-6-16(26-18)7-9-20(25)23(2)12-19(24)22-15-5-3-4-14(21)11-15/h3-9,11,13,17H,10,12H2,1-2H3,(H,22,24)/b9-7+
InChIKeyGXXNPYFLEBYCFA-VQHVLOKHSA-N
XLogP3.65
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]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

N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 76940023
(E)-N-(3-hydroxybutyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 115673344
(E)-N-(2-cyanoethyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 47015563
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
(E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 9439176
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
(3R)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 9090475
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 40605985

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 42921740) is (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC1CC1c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2cccc(F)c2)o1.
What is the InChIKey of (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is GXXNPYFLEBYCFA-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-13-10-17(13)18-8-6-16(26-18)7-9-20(25)23(2)12-19(24)22-15-5-3-4-14(21)11-15/h3-9,11,13,17H,10,12H2,1-2H3,(H,22,24)/b9-7+.
What are the key properties of (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 356.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 42921740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).