N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide

C13H15ClN2O4 — CID 110696884

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1COCC(=O)N1
InChIInChI=1S/C13H15ClN2O4/c1-7-3-9(11(19-2)4-8(7)14)16-13(18)10-5-20-6-12(17)15-10/h3-4,10H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHJSCRSWJXJTBPE-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.11
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide (PubChem CID 110696884) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide
PubChem CID110696884
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1COCC(=O)N1
InChIInChI=1S/C13H15ClN2O4/c1-7-3-9(11(19-2)4-8(7)14)16-13(18)10-5-20-6-12(17)15-10/h3-4,10H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHJSCRSWJXJTBPE-UHFFFAOYSA-N
XLogP1.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
CID 110696823
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982076
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
N-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792994
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75283567
N-(5-chloro-2-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792775
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate
CID 110696837
N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide
CID 110696803
(1S,6S)-6-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 39729016
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide (CID 110696884) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1COCC(=O)N1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is HJSCRSWJXJTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-7-3-9(11(19-2)4-8(7)14)16-13(18)10-5-20-6-12(17)15-10/h3-4,10H,5-6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).