3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide

C12H14BrFN2O2 — CID 103548275

IUPAC3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide
SMILESO=C(NCC1COCCN1)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrFN2O2/c13-9-3-8(4-10(14)5-9)12(17)16-6-11-7-18-2-1-15-11/h3-5,11,15H,1-2,6-7H2,(H,16,17)
InChIKeyQOXQRJBXSYPBQI-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.31
Rot. Bonds3

About 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide

3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide (PubChem CID 103548275) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide
PubChem CID103548275
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide
SMILESO=C(NCC1COCCN1)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrFN2O2/c13-9-3-8(4-10(14)5-9)12(17)16-6-11-7-18-2-1-15-11/h3-5,11,15H,1-2,6-7H2,(H,16,17)
InChIKeyQOXQRJBXSYPBQI-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342
4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548613
3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride
CID 154921463
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
CID 103548570
N-(morpholin-3-ylmethyl)furan-3-carboxamide
CID 103548513
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
N-(morpholin-3-ylmethyl)-1H-indole-6-carboxamide
CID 103548357
2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
CID 103548414
3-bromo-N-[(4-chlorocyclohexyl)methyl]-5-fluorobenzamide
CID 106133673
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347
3-ethyl-6-methyl-N-(morpholin-3-ylmethyl)pyridazine-4-carboxamide
CID 103548617

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide (CID 103548275) is 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide is O=C(NCC1COCCN1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide?
The InChIKey is QOXQRJBXSYPBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-9-3-8(4-10(14)5-9)12(17)16-6-11-7-18-2-1-15-11/h3-5,11,15H,1-2,6-7H2,(H,16,17).
What are the key properties of 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide?
3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide has a molecular weight of 317.16 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide is sourced from PubChem (CID 103548275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).