1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

C22H26FN3O3 — CID 109045881

IUPAC1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H26FN3O3/c23-20-7-1-17(2-8-20)9-10-24-21(27)18-3-5-19(6-4-18)22(28)25-11-12-26-13-15-29-16-14-26/h1-8H,9-16H2,(H,24,27)(H,25,28)
InChIKeyXQGVIOQALHPPEG-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.86
Rot. Bonds8

About 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide

1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 109045881) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
PubChem CID109045881
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H26FN3O3/c23-20-7-1-17(2-8-20)9-10-24-21(27)18-3-5-19(6-4-18)22(28)25-11-12-26-13-15-29-16-14-26/h1-8H,9-16H2,(H,24,27)(H,25,28)
InChIKeyXQGVIOQALHPPEG-UHFFFAOYSA-N
XLogP1.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide with MolForge

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Related Compounds

6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154121
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253062
N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253198
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167930
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666
N-[2-(4-fluorophenyl)ethyl]-2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 25488068
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045931
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366361
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108503044

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide (CID 109045881) is 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is O=C(NCCc1ccc(F)cc1)c1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is XQGVIOQALHPPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-20-7-1-17(2-8-20)9-10-24-21(27)18-3-5-19(6-4-18)22(28)25-11-12-26-13-15-29-16-14-26/h1-8H,9-16H2,(H,24,27)(H,25,28).
What are the key properties of 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide?
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).