N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide

C18H23FN2O2 — CID 110281761

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide
SMILESCN(C)CCC(NC(=O)CCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O2/c1-21(2)12-11-17(14-5-7-15(19)8-6-14)20-18(22)10-9-16-4-3-13-23-16/h3-8,13,17H,9-12H2,1-2H3,(H,20,22)
InChIKeyGSMVPLPXWSAYBI-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.16
Rot. Bonds8

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide (PubChem CID 110281761) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide
PubChem CID110281761
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide
SMILESCN(C)CCC(NC(=O)CCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C18H23FN2O2/c1-21(2)12-11-17(14-5-7-15(19)8-6-14)20-18(22)10-9-16-4-3-13-23-16/h3-8,13,17H,9-12H2,1-2H3,(H,20,22)
InChIKeyGSMVPLPXWSAYBI-UHFFFAOYSA-N
XLogP3.16
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 110278571
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide
CID 110281888
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 25398079
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-ethylbutanamide
CID 110281896
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 34476835
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110281854
3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103750763
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
(E)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 110281790
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide (CID 110281761) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide is CN(C)CCC(NC(=O)CCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide?
The InChIKey is GSMVPLPXWSAYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-21(2)12-11-17(14-5-7-15(19)8-6-14)20-18(22)10-9-16-4-3-13-23-16/h3-8,13,17H,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide has a molecular weight of 318.39 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110281761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).