3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide

C14H19ClN2O3 — CID 102668905

IUPAC3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
SMILESCC1CNCC(COCc2ccc(C(N)=O)cc2Cl)O1
InChIInChI=1S/C14H19ClN2O3/c1-9-5-17-6-12(20-9)8-19-7-11-3-2-10(14(16)18)4-13(11)15/h2-4,9,12,17H,5-8H2,1H3,(H2,16,18)
InChIKeyZIQLVCOZJLRHRA-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.33
Rot. Bonds5

About 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide

3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide (PubChem CID 102668905) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
PubChem CID102668905
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
SMILESCC1CNCC(COCc2ccc(C(N)=O)cc2Cl)O1
InChIInChI=1S/C14H19ClN2O3/c1-9-5-17-6-12(20-9)8-19-7-11-3-2-10(14(16)18)4-13(11)15/h2-4,9,12,17H,5-8H2,1H3,(H2,16,18)
InChIKeyZIQLVCOZJLRHRA-UHFFFAOYSA-N
XLogP1.33
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide?
The IUPAC name of 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide (CID 102668905) is 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide?
The canonical SMILES for 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide is CC1CNCC(COCc2ccc(C(N)=O)cc2Cl)O1.
What is the InChIKey of 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide?
The InChIKey is ZIQLVCOZJLRHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9-5-17-6-12(20-9)8-19-7-11-3-2-10(14(16)18)4-13(11)15/h2-4,9,12,17H,5-8H2,1H3,(H2,16,18).
What are the key properties of 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide?
3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide has a molecular weight of 298.77 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide is sourced from PubChem (CID 102668905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).