4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide

C22H24FN3O2 — CID 121498729

IUPAC4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide
SMILESCC(CCNC(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1)N1CCOCC1
InChIInChI=1S/C22H24FN3O2/c1-16(26-10-12-28-13-11-26)8-9-25-22(27)18-4-2-17(3-5-18)19-6-7-21(23)20(14-19)15-24/h2-7,14,16H,8-13H2,1H3,(H,25,27)
InChIKeyOZSGLIDKRLWAMM-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.20
Rot. Bonds6

About 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide

4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide (PubChem CID 121498729) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide
PubChem CID121498729
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide
SMILESCC(CCNC(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1)N1CCOCC1
InChIInChI=1S/C22H24FN3O2/c1-16(26-10-12-28-13-11-26)8-9-25-22(27)18-4-2-17(3-5-18)19-6-7-21(23)20(14-19)15-24/h2-7,14,16H,8-13H2,1H3,(H,25,27)
InChIKeyOZSGLIDKRLWAMM-UHFFFAOYSA-N
XLogP3.20
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(methylamino)phenyl]-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 125176405
3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 126443395
4-(2-cyanophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 126431535
N-(3-morpholin-4-ylbutyl)pyridazine-4-carboxamide
CID 91307914
4-(2,4-difluorophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 125163143
3-(1-methyl-6-oxopyridazin-3-yl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 125440311
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-3-morpholin-4-ylbutyl]benzamide
CID 126447514
4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 53109916
4-(3-cyano-4-fluorophenyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzamide
CID 126449152
N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide
CID 95635716
4-chloro-N-[2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111930871
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide?
The IUPAC name of 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide (CID 121498729) is 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide.
What is the SMILES notation for 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide?
The canonical SMILES for 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide is CC(CCNC(=O)c1ccc(-c2ccc(F)c(C#N)c2)cc1)N1CCOCC1.
What is the InChIKey of 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide?
The InChIKey is OZSGLIDKRLWAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16(26-10-12-28-13-11-26)8-9-25-22(27)18-4-2-17(3-5-18)19-6-7-21(23)20(14-19)15-24/h2-7,14,16H,8-13H2,1H3,(H,25,27).
What are the key properties of 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide?
4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide has a molecular weight of 381.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-4-fluorophenyl)-N-(3-morpholin-4-ylbutyl)benzamide is sourced from PubChem (CID 121498729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).