N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide

C12H14Cl2N2O2 — CID 116653886

IUPACN-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-8-2-3-9(13)11(10(8)14)15-12(17)16-4-6-18-7-5-16/h2-3H,4-7H2,1H3,(H,15,17)
InChIKeyZGAOAOBCIOPBEH-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.17
Rot. Bonds1

About N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide

N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide (PubChem CID 116653886) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide
PubChem CID116653886
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)N2CCOCC2)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-8-2-3-9(13)11(10(8)14)15-12(17)16-4-6-18-7-5-16/h2-3H,4-7H2,1H3,(H,15,17)
InChIKeyZGAOAOBCIOPBEH-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide (CID 116653886) is N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide is Cc1ccc(Cl)c(NC(=O)N2CCOCC2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide?
The InChIKey is ZGAOAOBCIOPBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-8-2-3-9(13)11(10(8)14)15-12(17)16-4-6-18-7-5-16/h2-3H,4-7H2,1H3,(H,15,17).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide?
N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 116653886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).