2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide

C14H18FN3O3 — CID 115597294

IUPAC2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C14H18FN3O3/c15-10-1-2-12(16)11(9-10)14(20)17-4-3-13(19)18-5-7-21-8-6-18/h1-2,9H,3-8,16H2,(H,17,20)
InChIKeyXVKNGJRTGHPTLH-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.39
Rot. Bonds4

About 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide

2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide (PubChem CID 115597294) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
PubChem CID115597294
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
SMILESNc1ccc(F)cc1C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C14H18FN3O3/c15-10-1-2-12(16)11(9-10)14(20)17-4-3-13(19)18-5-7-21-8-6-18/h1-2,9H,3-8,16H2,(H,17,20)
InChIKeyXVKNGJRTGHPTLH-UHFFFAOYSA-N
XLogP0.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
2-amino-5-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 107075964
N-[3-(azocan-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 51118035
5-fluoro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115673246
5-fluoro-2-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115681921
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
CID 119375106
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
2-hydroxy-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115581591
2-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-fluorobenzamide
CID 51118033
2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 103853094
2-bromo-5-fluoro-N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119562171
2-bromo-5-fluoro-N-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 55792700

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide (CID 115597294) is 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide is Nc1ccc(F)cc1C(=O)NCCC(=O)N1CCOCC1.
What is the InChIKey of 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
The InChIKey is XVKNGJRTGHPTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-10-1-2-12(16)11(9-10)14(20)17-4-3-13(19)18-5-7-21-8-6-18/h1-2,9H,3-8,16H2,(H,17,20).
What are the key properties of 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide?
2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide has a molecular weight of 295.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide is sourced from PubChem (CID 115597294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).