3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide

C20H24FN3O2 — CID 75454991

IUPAC3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NCCCNc2cccc(F)c2)c1
InChIInChI=1S/C20H24FN3O2/c1-3-24(2)20(26)16-8-4-7-15(13-16)19(25)23-12-6-11-22-18-10-5-9-17(21)14-18/h4-5,7-10,13-14,22H,3,6,11-12H2,1-2H3,(H,23,25)
InChIKeyQOUKIMHPPQTXFK-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.15
Rot. Bonds8

About 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide

3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 75454991) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID75454991
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NCCCNc2cccc(F)c2)c1
InChIInChI=1S/C20H24FN3O2/c1-3-24(2)20(26)16-8-4-7-15(13-16)19(25)23-12-6-11-22-18-10-5-9-17(21)14-18/h4-5,7-10,13-14,22H,3,6,11-12H2,1-2H3,(H,23,25)
InChIKeyQOUKIMHPPQTXFK-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide 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

3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-fluoro-N-octadecylbenzamide
CID 91711883
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
3-(ethylamino)-N-propylbenzamide
CID 43676038
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide (CID 75454991) is 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide is CCN(C)C(=O)c1cccc(C(=O)NCCCNc2cccc(F)c2)c1.
What is the InChIKey of 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is QOUKIMHPPQTXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-3-24(2)20(26)16-8-4-7-15(13-16)19(25)23-12-6-11-22-18-10-5-9-17(21)14-18/h4-5,7-10,13-14,22H,3,6,11-12H2,1-2H3,(H,23,25).
What are the key properties of 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide?
3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[3-(3-fluoroanilino)propyl]-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 75454991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).