3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

C20H24FN3O2 — CID 109053145

IUPAC3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C20H24FN3O2/c1-24(2)13-12-23-20(26)17-8-5-7-16(14-17)19(25)22-11-10-15-6-3-4-9-18(15)21/h3-9,14H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJVYMWTYGOHDNOI-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.09
Rot. Bonds8

About 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109053145) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109053145
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCNC(=O)c1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C20H24FN3O2/c1-24(2)13-12-23-20(26)17-8-5-7-16(14-17)19(25)22-11-10-15-6-3-4-9-18(15)21/h3-9,14H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJVYMWTYGOHDNOI-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
4-[2-(dimethylamino)ethylsulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 109060145
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055404
3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055398
1-N-[2-(dimethylamino)ethyl]-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053233
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109229916
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (CID 109053145) is 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is CN(C)CCNC(=O)c1cccc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is JVYMWTYGOHDNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-24(2)13-12-23-20(26)17-8-5-7-16(14-17)19(25)22-11-10-15-6-3-4-9-18(15)21/h3-9,14H,10-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).