3-chloro-N-morpholin-4-ylbenzamide

C11H13ClN2O2 — CID 4181689

IUPAC3-chloro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c12-10-3-1-2-9(8-10)11(15)13-14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)
InChIKeyUDULKTROMQUOAW-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.32
Rot. Bonds2

About 3-chloro-N-morpholin-4-ylbenzamide

3-chloro-N-morpholin-4-ylbenzamide (PubChem CID 4181689) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-chloro-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-morpholin-4-ylbenzamide
PubChem CID4181689
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-chloro-N-morpholin-4-ylbenzamide
SMILESO=C(NN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c12-10-3-1-2-9(8-10)11(15)13-14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)
InChIKeyUDULKTROMQUOAW-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 3-chloro-N-morpholin-4-ylbenzamide?
The IUPAC name of 3-chloro-N-morpholin-4-ylbenzamide (CID 4181689) is 3-chloro-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-chloro-N-morpholin-4-ylbenzamide?
The canonical SMILES for 3-chloro-N-morpholin-4-ylbenzamide is O=C(NN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-morpholin-4-ylbenzamide?
The InChIKey is UDULKTROMQUOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-3-1-2-9(8-10)11(15)13-14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15).
What are the key properties of 3-chloro-N-morpholin-4-ylbenzamide?
3-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 3-chloro-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 4181689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).