2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide

C16H24FN3O2 — CID 89133892

IUPAC2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide
SMILESNc1ccc(CCN2CCOCC2)cc1C(=O)NCCCF
InChIInChI=1S/C16H24FN3O2/c17-5-1-6-19-16(21)14-12-13(2-3-15(14)18)4-7-20-8-10-22-11-9-20/h2-3,12H,1,4-11,18H2,(H,19,21)
InChIKeyKOHOZULEXZDBTR-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.23
Rot. Bonds7

About 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide

2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide (PubChem CID 89133892) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide
PubChem CID89133892
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide
SMILESNc1ccc(CCN2CCOCC2)cc1C(=O)NCCCF
InChIInChI=1S/C16H24FN3O2/c17-5-1-6-19-16(21)14-12-13(2-3-15(14)18)4-7-20-8-10-22-11-9-20/h2-3,12H,1,4-11,18H2,(H,19,21)
InChIKeyKOHOZULEXZDBTR-UHFFFAOYSA-N
XLogP1.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115597294
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide (CID 89133892) is 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide is Nc1ccc(CCN2CCOCC2)cc1C(=O)NCCCF.
What is the InChIKey of 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is KOHOZULEXZDBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c17-5-1-6-19-16(21)14-12-13(2-3-15(14)18)4-7-20-8-10-22-11-9-20/h2-3,12H,1,4-11,18H2,(H,19,21).
What are the key properties of 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide?
2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 309.39 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoropropyl)-5-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 89133892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).