4-chloro-N-morpholin-4-ylbenzamide

C11H13ClN2O2 — CID 870220

IUPAC4-chloro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-10-3-1-9(2-4-10)11(15)13-14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15)
InChIKeyZDDDYKVPVXQJIF-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.32
Rot. Bonds2

About 4-chloro-N-morpholin-4-ylbenzamide

4-chloro-N-morpholin-4-ylbenzamide (PubChem CID 870220) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-morpholin-4-ylbenzamide
PubChem CID870220
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-chloro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c12-10-3-1-9(2-4-10)11(15)13-14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15)
InChIKeyZDDDYKVPVXQJIF-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-morpholin-4-ylbenzamide?
The IUPAC name of 4-chloro-N-morpholin-4-ylbenzamide (CID 870220) is 4-chloro-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 4-chloro-N-morpholin-4-ylbenzamide?
The canonical SMILES for 4-chloro-N-morpholin-4-ylbenzamide is O=C(NN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-morpholin-4-ylbenzamide?
The InChIKey is ZDDDYKVPVXQJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-3-1-9(2-4-10)11(15)13-14-5-7-16-8-6-14/h1-4H,5-8H2,(H,13,15).
What are the key properties of 4-chloro-N-morpholin-4-ylbenzamide?
4-chloro-N-morpholin-4-ylbenzamide has a molecular weight of 240.69 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 870220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).