N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide

C21H24FN3O3 — CID 4824097

IUPACN-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3/c22-17-3-1-16(2-4-17)21(26)23-19-6-5-18(24-7-11-27-12-8-24)15-20(19)25-9-13-28-14-10-25/h1-6,15H,7-14H2,(H,23,26)
InChIKeyIHOKVXYQRJOTQK-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.75
Rot. Bonds4

About N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide

N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide (PubChem CID 4824097) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide
PubChem CID4824097
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3/c22-17-3-1-16(2-4-17)21(26)23-19-6-5-18(24-7-11-27-12-8-24)15-20(19)25-9-13-28-14-10-25/h1-6,15H,7-14H2,(H,23,26)
InChIKeyIHOKVXYQRJOTQK-UHFFFAOYSA-N
XLogP2.75
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide (CID 4824097) is N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide is O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide?
The InChIKey is IHOKVXYQRJOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-17-3-1-16(2-4-17)21(26)23-19-6-5-18(24-7-11-27-12-8-24)15-20(19)25-9-13-28-14-10-25/h1-6,15H,7-14H2,(H,23,26).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide?
N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide has a molecular weight of 385.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimorpholin-4-ylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 4824097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).