3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide

C14H18BrFN2O2 — CID 106547752

IUPAC3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(Br)c1F
InChIInChI=1S/C14H18BrFN2O2/c15-12-4-1-3-11(13(12)16)14(19)17-5-2-6-18-7-9-20-10-8-18/h1,3-4H,2,5-10H2,(H,17,19)
InChIKeyYDEMOGPOFZTMNG-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.04
Rot. Bonds5

About 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide

3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 106547752) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID106547752
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(Br)c1F
InChIInChI=1S/C14H18BrFN2O2/c15-12-4-1-3-11(13(12)16)14(19)17-5-2-6-18-7-9-20-10-8-18/h1,3-4H,2,5-10H2,(H,17,19)
InChIKeyYDEMOGPOFZTMNG-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-bromo-2-fluorobenzamide
CID 106547835
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
2-bromo-3-fluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107539960
3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 62991871
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide (CID 106547752) is 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is YDEMOGPOFZTMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c15-12-4-1-3-11(13(12)16)14(19)17-5-2-6-18-7-9-20-10-8-18/h1,3-4H,2,5-10H2,(H,17,19).
What are the key properties of 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 345.21 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 106547752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).