5-chloro-2-fluoro-N-morpholin-4-ylbenzamide

C11H12ClFN2O2 — CID 78912763

IUPAC5-chloro-2-fluoro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C11H12ClFN2O2/c12-8-1-2-10(13)9(7-8)11(16)14-15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyKUDOEMGWWPRYQS-UHFFFAOYSA-N
MW258.68 g/mol
LogP1.46
Rot. Bonds2

About 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide

5-chloro-2-fluoro-N-morpholin-4-ylbenzamide (PubChem CID 78912763) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-morpholin-4-ylbenzamide
PubChem CID78912763
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC Name5-chloro-2-fluoro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C11H12ClFN2O2/c12-8-1-2-10(13)9(7-8)11(16)14-15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeyKUDOEMGWWPRYQS-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide (CID 78912763) is 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide is O=C(NN1CCOCC1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide?
The InChIKey is KUDOEMGWWPRYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c12-8-1-2-10(13)9(7-8)11(16)14-15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16).
What are the key properties of 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide?
5-chloro-2-fluoro-N-morpholin-4-ylbenzamide has a molecular weight of 258.68 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 78912763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).