N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide

C24H27FN2O3 — CID 110281606

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)o2)c1
InChIInChI=1S/C24H27FN2O3/c1-17-5-4-6-20(15-17)29-16-21-11-12-23(30-21)24(28)26-22(13-14-27(2)3)18-7-9-19(25)10-8-18/h4-12,15,22H,13-14,16H2,1-3H3,(H,26,28)
InChIKeyFRXCYTMCVFAYPC-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.73
Rot. Bonds9

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 110281606) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID110281606
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)o2)c1
InChIInChI=1S/C24H27FN2O3/c1-17-5-4-6-20(15-17)29-16-21-11-12-23(30-21)24(28)26-22(13-14-27(2)3)18-7-9-19(25)10-8-18/h4-12,15,22H,13-14,16H2,1-3H3,(H,26,28)
InChIKeyFRXCYTMCVFAYPC-UHFFFAOYSA-N
XLogP4.73
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide 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-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 110278361
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 110281615
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 110278359
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110281612
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413099
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
N-(2-fluoro-5-methylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467243
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 39799937
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78882328

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (CID 110281606) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is Cc1cccc(OCc2ccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is FRXCYTMCVFAYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-17-5-4-6-20(15-17)29-16-21-11-12-23(30-21)24(28)26-22(13-14-27(2)3)18-7-9-19(25)10-8-18/h4-12,15,22H,13-14,16H2,1-3H3,(H,26,28).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 110281606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).