3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride

C18H20Cl2N2O2 — CID 67239771

IUPAC3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride
SMILESC[C@H]1CNC[C@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)O1.Cl
InChIInChI=1S/C18H19ClN2O2.ClH/c1-12-10-20-11-17(23-12)13-5-7-16(8-6-13)21-18(22)14-3-2-4-15(19)9-14;/h2-9,12,17,20H,10-11H2,1H3,(H,21,22);1H/t12-,17+;/m0./s1
InChIKeyGVDVUVHMOXCJCD-LWHGMNCYSA-N
MW367.28 g/mol
LogP4.06
Rot. Bonds3

About 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride

3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride (PubChem CID 67239771) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride
PubChem CID67239771
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride
SMILESC[C@H]1CNC[C@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)O1.Cl
InChIInChI=1S/C18H19ClN2O2.ClH/c1-12-10-20-11-17(23-12)13-5-7-16(8-6-13)21-18(22)14-3-2-4-15(19)9-14;/h2-9,12,17,20H,10-11H2,1H3,(H,21,22);1H/t12-,17+;/m0./s1
InChIKeyGVDVUVHMOXCJCD-LWHGMNCYSA-N
XLogP4.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride (CID 67239771) is 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride is C[C@H]1CNC[C@H](c2ccc(NC(=O)c3cccc(Cl)c3)cc2)O1.Cl.
What is the InChIKey of 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride?
The InChIKey is GVDVUVHMOXCJCD-LWHGMNCYSA-N. The full InChI is InChI=1S/C18H19ClN2O2.ClH/c1-12-10-20-11-17(23-12)13-5-7-16(8-6-13)21-18(22)14-3-2-4-15(19)9-14;/h2-9,12,17,20H,10-11H2,1H3,(H,21,22);1H/t12-,17+;/m0./s1.
What are the key properties of 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride?
3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(2S,6S)-6-methylmorpholin-2-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 67239771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).