N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide

C11H11ClN2O3 — CID 110696803

IUPACN-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide
SMILESO=C1COCC(C(=O)Nc2cccc(Cl)c2)N1
InChIInChI=1S/C11H11ClN2O3/c12-7-2-1-3-8(4-7)13-11(16)9-5-17-6-10(15)14-9/h1-4,9H,5-6H2,(H,13,16)(H,14,15)
InChIKeyYPXXQDMORZXLKY-UHFFFAOYSA-N
MW254.67 g/mol
LogP0.79
Rot. Bonds2

About N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide

N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide (PubChem CID 110696803) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide
PubChem CID110696803
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC NameN-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide
SMILESO=C1COCC(C(=O)Nc2cccc(Cl)c2)N1
InChIInChI=1S/C11H11ClN2O3/c12-7-2-1-3-8(4-7)13-11(16)9-5-17-6-10(15)14-9/h1-4,9H,5-6H2,(H,13,16)(H,14,15)
InChIKeyYPXXQDMORZXLKY-UHFFFAOYSA-N
XLogP0.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide
CID 110696889
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide
CID 110696868
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696796
methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate
CID 110696837
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide
CID 110696844
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696884
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide (CID 110696803) is N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide is O=C1COCC(C(=O)Nc2cccc(Cl)c2)N1.
What is the InChIKey of N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is YPXXQDMORZXLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-7-2-1-3-8(4-7)13-11(16)9-5-17-6-10(15)14-9/h1-4,9H,5-6H2,(H,13,16)(H,14,15).
What are the key properties of N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide?
N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 254.67 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).