3-bromo-2-fluoro-N-morpholin-4-ylbenzamide

C11H12BrFN2O2 — CID 106550955

IUPAC3-bromo-2-fluoro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cccc(Br)c1F
InChIInChI=1S/C11H12BrFN2O2/c12-9-3-1-2-8(10(9)13)11(16)14-15-4-6-17-7-5-15/h1-3H,4-7H2,(H,14,16)
InChIKeyCMVMQOWWNVNXCC-UHFFFAOYSA-N
MW303.13 g/mol
LogP1.57
Rot. Bonds2

About 3-bromo-2-fluoro-N-morpholin-4-ylbenzamide

3-bromo-2-fluoro-N-morpholin-4-ylbenzamide (PubChem CID 106550955) has the molecular formula C11H12BrFN2O2 and a molecular weight of 303.13 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-morpholin-4-ylbenzamide
PubChem CID106550955
Molecular FormulaC11H12BrFN2O2
Molecular Weight303.13 g/mol
Exact Mass302.01
IUPAC Name3-bromo-2-fluoro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cccc(Br)c1F
InChIInChI=1S/C11H12BrFN2O2/c12-9-3-1-2-8(10(9)13)11(16)14-15-4-6-17-7-5-15/h1-3H,4-7H2,(H,14,16)
InChIKeyCMVMQOWWNVNXCC-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-morpholin-4-ylbenzamide?
The IUPAC name of 3-bromo-2-fluoro-N-morpholin-4-ylbenzamide (CID 106550955) is 3-bromo-2-fluoro-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-morpholin-4-ylbenzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-morpholin-4-ylbenzamide is O=C(NN1CCOCC1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-morpholin-4-ylbenzamide?
The InChIKey is CMVMQOWWNVNXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O2/c12-9-3-1-2-8(10(9)13)11(16)14-15-4-6-17-7-5-15/h1-3H,4-7H2,(H,14,16).
What are the key properties of 3-bromo-2-fluoro-N-morpholin-4-ylbenzamide?
3-bromo-2-fluoro-N-morpholin-4-ylbenzamide has a molecular weight of 303.13 g/mol, XLogP of 1.57, 2 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-morpholin-4-ylbenzamide is sourced from PubChem (CID 106550955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).