N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide

C21H24FN3O3 — CID 4824008

IUPACN-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C21H24FN3O3/c22-17-3-1-2-16(14-17)21(26)23-19-5-4-18(24-6-10-27-11-7-24)15-20(19)25-8-12-28-13-9-25/h1-5,14-15H,6-13H2,(H,23,26)
InChIKeyNEVZNVGEXSATLN-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.75
Rot. Bonds4

About N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide

N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide (PubChem CID 4824008) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
PubChem CID4824008
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C21H24FN3O3/c22-17-3-1-2-16(14-17)21(26)23-19-5-4-18(24-6-10-27-11-7-24)15-20(19)25-8-12-28-13-9-25/h1-5,14-15H,6-13H2,(H,23,26)
InChIKeyNEVZNVGEXSATLN-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

Analyze N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide 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-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400397
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
CID 41080718
N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 112984547

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide (CID 4824008) is N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide is O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide?
The InChIKey is NEVZNVGEXSATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-17-3-1-2-16(14-17)21(26)23-19-5-4-18(24-6-10-27-11-7-24)15-20(19)25-8-12-28-13-9-25/h1-5,14-15H,6-13H2,(H,23,26).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide?
N-(2,4-dimorpholin-4-ylphenyl)-3-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)-3-fluorobenzamide is sourced from PubChem (CID 4824008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).