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

C12H14BrFN2O2 — CID 103548342

IUPAC4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
SMILESO=C(NCC1COCCN1)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c13-8-1-2-10(11(14)5-8)12(17)16-6-9-7-18-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyAEJRENMYCLALGQ-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.31
Rot. Bonds3

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

4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide (PubChem CID 103548342) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
PubChem CID103548342
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
SMILESO=C(NCC1COCCN1)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFN2O2/c13-8-1-2-10(11(14)5-8)12(17)16-6-9-7-18-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyAEJRENMYCLALGQ-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

2-fluoro-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
CID 103548414
3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548275
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
CID 103548570
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347
4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548613
2-methyl-N-(morpholin-3-ylmethyl)-4-nitrobenzamide
CID 103548415
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
2-methyl-N-(morpholin-3-ylmethyl)pyridine-3-carboxamide
CID 103548430
4-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluorobenzamide;hydrochloride
CID 120670694

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide (CID 103548342) is 4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide is O=C(NCC1COCCN1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide?
The InChIKey is AEJRENMYCLALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-8-1-2-10(11(14)5-8)12(17)16-6-9-7-18-4-3-15-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17).
What are the key properties of 4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide?
4-bromo-2-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 4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide is sourced from PubChem (CID 103548342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).