1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide

C24H22F2N2O4 — CID 166196673

IUPAC1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCOc1cccc(F)c1)c1ccc(C(=O)NCCOc2cccc(F)c2)cc1
InChIInChI=1S/C24H22F2N2O4/c25-19-3-1-5-21(15-19)31-13-11-27-23(29)17-7-9-18(10-8-17)24(30)28-12-14-32-22-6-2-4-20(26)16-22/h1-10,15-16H,11-14H2,(H,27,29)(H,28,30)
InChIKeyZWRWLGILXODRDL-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.58
Rot. Bonds10

About 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide (PubChem CID 166196673) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
PubChem CID166196673
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCOc1cccc(F)c1)c1ccc(C(=O)NCCOc2cccc(F)c2)cc1
InChIInChI=1S/C24H22F2N2O4/c25-19-3-1-5-21(15-19)31-13-11-27-23(29)17-7-9-18(10-8-17)24(30)28-12-14-32-22-6-2-4-20(26)16-22/h1-10,15-16H,11-14H2,(H,27,29)(H,28,30)
InChIKeyZWRWLGILXODRDL-UHFFFAOYSA-N
XLogP3.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
CID 86859541
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide (CID 166196673) is 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide is O=C(NCCOc1cccc(F)c1)c1ccc(C(=O)NCCOc2cccc(F)c2)cc1.
What is the InChIKey of 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is ZWRWLGILXODRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c25-19-3-1-5-21(15-19)31-13-11-27-23(29)17-7-9-18(10-8-17)24(30)28-12-14-32-22-6-2-4-20(26)16-22/h1-10,15-16H,11-14H2,(H,27,29)(H,28,30).
What are the key properties of 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 440.45 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 166196673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).