3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide

C21H18FNO4 — CID 36898245

IUPAC3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H18FNO4/c22-16-5-3-15(4-6-16)18-9-7-17(27-18)12-23-21(24)10-2-14-1-8-19-20(11-14)26-13-25-19/h1,3-9,11H,2,10,12-13H2,(H,23,24)
InChIKeyFCALZSOHNAWOIB-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.06
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide (PubChem CID 36898245) has the molecular formula C21H18FNO4 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide
PubChem CID36898245
Molecular FormulaC21H18FNO4
Molecular Weight367.38 g/mol
Exact Mass367.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H18FNO4/c22-16-5-3-15(4-6-16)18-9-7-17(27-18)12-23-21(24)10-2-14-1-8-19-20(11-14)26-13-25-19/h1,3-9,11H,2,10,12-13H2,(H,23,24)
InChIKeyFCALZSOHNAWOIB-UHFFFAOYSA-N
XLogP4.06
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide 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

3-(1,3-benzodioxol-5-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 110632199
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8869378
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(5-methylfuran-2-yl)methyl]butanediamide
CID 3397094
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021165
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 16574553
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110298086
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 110787903
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 110767389
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113121090
3-(1,3-benzodioxol-5-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
CID 136665369

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide (CID 36898245) is 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide?
The InChIKey is FCALZSOHNAWOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO4/c22-16-5-3-15(4-6-16)18-9-7-17(27-18)12-23-21(24)10-2-14-1-8-19-20(11-14)26-13-25-19/h1,3-9,11H,2,10,12-13H2,(H,23,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide has a molecular weight of 367.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]propanamide is sourced from PubChem (CID 36898245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).