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

C15H19ClN2O3 — CID 4779688

IUPAC4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
SMILESCC1CN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H19ClN2O3/c1-10-8-18(9-11(2)21-10)14(19)7-17-15(20)12-3-5-13(16)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)
InChIKeyQYKGOGOKEKVEJA-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.71
Rot. Bonds3

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

4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide (PubChem CID 4779688) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
PubChem CID4779688
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
SMILESCC1CN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC(C)O1
InChIInChI=1S/C15H19ClN2O3/c1-10-8-18(9-11(2)21-10)14(19)7-17-15(20)12-3-5-13(16)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,17,20)
InChIKeyQYKGOGOKEKVEJA-UHFFFAOYSA-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

3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 35814912
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-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenylacetamide
CID 51160848
4-chloro-N-[(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 51863777
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide
CID 27661299
4-chloro-N-[(2S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98773849
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide (CID 4779688) is 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide is CC1CN(C(=O)CNC(=O)c2ccc(Cl)cc2)CC(C)O1.
What is the InChIKey of 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide?
The InChIKey is QYKGOGOKEKVEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-8-18(9-11(2)21-10)14(19)7-17-15(20)12-3-5-13(16)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide?
4-chloro-N-[2-(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 4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 4779688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).