4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide

C17H24FIN2O2 — CID 55688167

IUPAC4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
SMILESCC(C)CC(CNC(=O)c1ccc(F)cc1I)N1CCOCC1
InChIInChI=1S/C17H24FIN2O2/c1-12(2)9-14(21-5-7-23-8-6-21)11-20-17(22)15-4-3-13(18)10-16(15)19/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,20,22)
InChIKeyVZKUCOWQYJHSND-UHFFFAOYSA-N
MW434.29 g/mol
LogP2.91
Rot. Bonds6

About 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide

4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide (PubChem CID 55688167) has the molecular formula C17H24FIN2O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
PubChem CID55688167
Molecular FormulaC17H24FIN2O2
Molecular Weight434.29 g/mol
Exact Mass434.09
IUPAC Name4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
SMILESCC(C)CC(CNC(=O)c1ccc(F)cc1I)N1CCOCC1
InChIInChI=1S/C17H24FIN2O2/c1-12(2)9-14(21-5-7-23-8-6-21)11-20-17(22)15-4-3-13(18)10-16(15)19/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,20,22)
InChIKeyVZKUCOWQYJHSND-UHFFFAOYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-2-carboxamide
CID 46557915
3-fluoro-N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 78840417
2-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 110403268
2-hydroxy-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43050142
5-chloro-2-hydroxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 43050180
3-hydroxy-N-(4-methyl-2-morpholin-4-ylpentyl)naphthalene-2-carboxamide
CID 46540851
2-ethoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027029
2-(4-fluorophenoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 134027111
1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide
CID 55521037
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-1H-quinoline-4-carboxamide
CID 134027047
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
CID 25331278

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide (CID 55688167) is 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide is CC(C)CC(CNC(=O)c1ccc(F)cc1I)N1CCOCC1.
What is the InChIKey of 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
The InChIKey is VZKUCOWQYJHSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FIN2O2/c1-12(2)9-14(21-5-7-23-8-6-21)11-20-17(22)15-4-3-13(18)10-16(15)19/h3-4,10,12,14H,5-9,11H2,1-2H3,(H,20,22).
What are the key properties of 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide?
4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide has a molecular weight of 434.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide is sourced from PubChem (CID 55688167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).