4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

C20H23FN2O3 — CID 109045277

IUPAC4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3/c1-26-14-2-12-22-19(24)16-5-7-17(8-6-16)20(25)23-13-11-15-3-9-18(21)10-4-15/h3-10H,2,11-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyQHYBPDSEBJEMCH-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.56
Rot. Bonds9

About 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (PubChem CID 109045277) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
PubChem CID109045277
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O3/c1-26-14-2-12-22-19(24)16-5-7-17(8-6-16)20(25)23-13-11-15-3-9-18(21)10-4-15/h3-10H,2,11-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyQHYBPDSEBJEMCH-UHFFFAOYSA-N
XLogP2.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-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

4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
1-N-[2-(4-fluorophenyl)ethyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133116
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-fluorophenyl)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9210461
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (CID 109045277) is 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is COCCCNC(=O)c1ccc(C(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The InChIKey is QHYBPDSEBJEMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-26-14-2-12-22-19(24)16-5-7-17(8-6-16)20(25)23-13-11-15-3-9-18(21)10-4-15/h3-10H,2,11-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).