N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide

C14H16Cl2N2O3 — CID 108504097

IUPACN-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)Nc2c(Cl)cccc2Cl)CC(C)O1
InChIInChI=1S/C14H16Cl2N2O3/c1-8-6-18(7-9(2)21-8)14(20)13(19)17-12-10(15)4-3-5-11(12)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,19)
InChIKeyQIAKJVQTORUSGD-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.57
Rot. Bonds1

About N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide

N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (PubChem CID 108504097) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
PubChem CID108504097
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)Nc2c(Cl)cccc2Cl)CC(C)O1
InChIInChI=1S/C14H16Cl2N2O3/c1-8-6-18(7-9(2)21-8)14(20)13(19)17-12-10(15)4-3-5-11(12)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,19)
InChIKeyQIAKJVQTORUSGD-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 3450597
N-[(2-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108503887
N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504006
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108503966
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
N-(2,3-dichlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108500745
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108504026
(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 113331638
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(N-methylanilino)phenyl]-2-oxoacetamide
CID 71889091
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
2-chloro-N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 695632
2-(2,6-dimethylmorpholin-4-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 108503950

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide (CID 108504097) is N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is CC1CN(C(=O)C(=O)Nc2c(Cl)cccc2Cl)CC(C)O1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
The InChIKey is QIAKJVQTORUSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-8-6-18(7-9(2)21-8)14(20)13(19)17-12-10(15)4-3-5-11(12)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide?
N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide has a molecular weight of 331.20 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide is sourced from PubChem (CID 108504097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).