5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide

C15H21ClN2O3 — CID 171074476

IUPAC5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(CN2CC(C)O[C@H](C)C2)c1O
InChIInChI=1S/C15H21ClN2O3/c1-9-6-18(7-10(2)21-9)8-11-4-12(16)5-13(14(11)19)15(20)17-3/h4-5,9-10,19H,6-8H2,1-3H3,(H,17,20)/t9-,10?/m1/s1
InChIKeyHMMJEYHGSLUCTO-YHMJZVADSA-N
MW312.80 g/mol
LogP2.01
Rot. Bonds3

About 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide

5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide (PubChem CID 171074476) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide
PubChem CID171074476
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)cc(CN2CC(C)O[C@H](C)C2)c1O
InChIInChI=1S/C15H21ClN2O3/c1-9-6-18(7-10(2)21-9)8-11-4-12(16)5-13(14(11)19)15(20)17-3/h4-5,9-10,19H,6-8H2,1-3H3,(H,17,20)/t9-,10?/m1/s1
InChIKeyHMMJEYHGSLUCTO-YHMJZVADSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide?
The IUPAC name of 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide (CID 171074476) is 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide is CNC(=O)c1cc(Cl)cc(CN2CC(C)O[C@H](C)C2)c1O.
What is the InChIKey of 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide?
The InChIKey is HMMJEYHGSLUCTO-YHMJZVADSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-9-6-18(7-10(2)21-9)8-11-4-12(16)5-13(14(11)19)15(20)17-3/h4-5,9-10,19H,6-8H2,1-3H3,(H,17,20)/t9-,10?/m1/s1.
What are the key properties of 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide?
5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide has a molecular weight of 312.80 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[(2R)-2,6-dimethylmorpholin-4-yl]methyl]-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 171074476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).