3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

C15H20BrFN2O2 — CID 46470982

IUPAC3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(F)cc(Br)c1)N1CCOCC1
InChIInChI=1S/C15H20BrFN2O2/c1-15(2,19-3-5-21-6-4-19)10-18-14(20)11-7-12(16)9-13(17)8-11/h7-9H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyFLABQNSVUUWRHJ-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.43
Rot. Bonds4

About 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (PubChem CID 46470982) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
PubChem CID46470982
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC Name3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(F)cc(Br)c1)N1CCOCC1
InChIInChI=1S/C15H20BrFN2O2/c1-15(2,19-3-5-21-6-4-19)10-18-14(20)11-7-12(16)9-13(17)8-11/h7-9H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyFLABQNSVUUWRHJ-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 114371891
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17488295
5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 46555928
2-amino-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 62073465
3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 61251148
N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
CID 51163346
N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501
3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 110621303
2-ethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51173152
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
CID 51192724

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (CID 46470982) is 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is CC(C)(CNC(=O)c1cc(F)cc(Br)c1)N1CCOCC1.
What is the InChIKey of 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The InChIKey is FLABQNSVUUWRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c1-15(2,19-3-5-21-6-4-19)10-18-14(20)11-7-12(16)9-13(17)8-11/h7-9H,3-6,10H2,1-2H3,(H,18,20).
What are the key properties of 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide has a molecular weight of 359.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 46470982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).