N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide

C13H15ClN2O3 — CID 23555757

IUPACN-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-9-2-3-10(8-11(9)14)15-12(17)13(18)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3,(H,15,17)
InChIKeyCFJXXBHIEOEUIL-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.45
Rot. Bonds1

About N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide

N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 23555757) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide
PubChem CID23555757
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-9-2-3-10(8-11(9)14)15-12(17)13(18)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3,(H,15,17)
InChIKeyCFJXXBHIEOEUIL-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.45
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

Fominoben
CID 3407
Benzamide, N-(3-chloro-2-((methyl(2-(4-morpholinyl)-2-oxoethyl)amino)methyl)phenyl)-, monohydrochloride
CID 3015003
N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
CID 882910
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 883553
2-(2-chlorophenyl)-N-(3-methylphenyl)-2-morpholin-4-ylacetamide
CID 3108210
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
4-Morpholineacetamide, N-(2-methylphenyl)-, monohydrochloride
CID 2827840
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
N-(3-chloro-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 237729
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholinoacetamide
CID 676222
N-(3-chloro-4-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 846437

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide (CID 23555757) is N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide?
The InChIKey is CFJXXBHIEOEUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-9-2-3-10(8-11(9)14)15-12(17)13(18)16-4-6-19-7-5-16/h2-3,8H,4-7H2,1H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide?
N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 282.73 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 23555757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).