4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide

C18H21FN2O2 — CID 24552546

IUPAC4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCOc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-21(2)15-10-8-14(9-11-15)18(22)20-12-5-13-23-17-7-4-3-6-16(17)19/h3-4,6-11H,5,12-13H2,1-2H3,(H,20,22)
InChIKeyJDDMSUVEROZOGP-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.09
Rot. Bonds7

About 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide

4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide (PubChem CID 24552546) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
PubChem CID24552546
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCOc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-21(2)15-10-8-14(9-11-15)18(22)20-12-5-13-23-17-7-4-3-6-16(17)19/h3-4,6-11H,5,12-13H2,1-2H3,(H,20,22)
InChIKeyJDDMSUVEROZOGP-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(2-fluorophenoxy)propylamino]-3-oxopropyl]benzamide
CID 46451984
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18289079
4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24686106
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide (CID 24552546) is 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide is CN(C)c1ccc(C(=O)NCCCOc2ccccc2F)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide?
The InChIKey is JDDMSUVEROZOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(2)15-10-8-14(9-11-15)18(22)20-12-5-13-23-17-7-4-3-6-16(17)19/h3-4,6-11H,5,12-13H2,1-2H3,(H,20,22).
What are the key properties of 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide?
4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide has a molecular weight of 316.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-(2-fluorophenoxy)propyl]benzamide is sourced from PubChem (CID 24552546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).