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

C21H26FN3O2 — CID 109053381

IUPAC1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C21H26FN3O2/c1-25(2)14-6-12-23-20(26)17-8-5-9-18(15-17)21(27)24-13-11-16-7-3-4-10-19(16)22/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyONOPUBDKPAFXKV-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.48
Rot. Bonds9

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

1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109053381) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109053381
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cccc(C(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C21H26FN3O2/c1-25(2)14-6-12-23-20(26)17-8-5-9-18(15-17)21(27)24-13-11-16-7-3-4-10-19(16)22/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyONOPUBDKPAFXKV-UHFFFAOYSA-N
XLogP2.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109229916
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109017050
1-[3-(dimethylamino)propyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111361404
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (CID 109053381) is 1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is CN(C)CCCNC(=O)c1cccc(C(=O)NCCc2ccccc2F)c1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is ONOPUBDKPAFXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-25(2)14-6-12-23-20(26)17-8-5-9-18(15-17)21(27)24-13-11-16-7-3-4-10-19(16)22/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).