3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide

C15H20F2N2O2 — CID 51082239

IUPAC3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
SMILESO=C(NCCCCN1CCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c16-13-4-3-12(11-14(13)17)15(20)18-5-1-2-6-19-7-9-21-10-8-19/h3-4,11H,1-2,5-10H2,(H,18,20)
InChIKeyCKYBKTHCOLUDTA-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.81
Rot. Bonds6

About 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide

3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide (PubChem CID 51082239) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
PubChem CID51082239
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
SMILESO=C(NCCCCN1CCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c16-13-4-3-12(11-14(13)17)15(20)18-5-1-2-6-19-7-9-21-10-8-19/h3-4,11H,1-2,5-10H2,(H,18,20)
InChIKeyCKYBKTHCOLUDTA-UHFFFAOYSA-N
XLogP1.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide 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

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 103706316
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445678
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 71051708
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide (CID 51082239) is 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide is O=C(NCCCCN1CCOCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide?
The InChIKey is CKYBKTHCOLUDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-13-4-3-12(11-14(13)17)15(20)18-5-1-2-6-19-7-9-21-10-8-19/h3-4,11H,1-2,5-10H2,(H,18,20).
What are the key properties of 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide?
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide has a molecular weight of 298.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide is sourced from PubChem (CID 51082239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).