3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide

C15H19ClN2O3 — CID 35814912

IUPAC3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
SMILESC[C@@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C15H19ClN2O3/c1-10-8-18(9-11(2)21-10)14(19)7-17-15(20)12-4-3-5-13(16)6-12/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)/t10-,11+
InChIKeyRZJOHTRMZSMPCB-PHIMTYICSA-N
MW310.78 g/mol
LogP1.71
Rot. Bonds3

About 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide

3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide (PubChem CID 35814912) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
PubChem CID35814912
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
SMILESC[C@@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C15H19ClN2O3/c1-10-8-18(9-11(2)21-10)14(19)7-17-15(20)12-4-3-5-13(16)6-12/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)/t10-,11+
InChIKeyRZJOHTRMZSMPCB-PHIMTYICSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide
CID 27661299
1-[2-[(3-chlorobenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117429
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18289694
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 46652197
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenylacetamide
CID 51160848
3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55517345
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide (CID 35814912) is 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide is C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@H](C)O1.
What is the InChIKey of 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is RZJOHTRMZSMPCB-PHIMTYICSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-8-18(9-11(2)21-10)14(19)7-17-15(20)12-4-3-5-13(16)6-12/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)/t10-,11+.
What are the key properties of 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 310.78 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 35814912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).