N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide

C13H17ClN2O2 — CID 42929230

IUPACN-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC(C)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9-3-4-11(7-12(9)14)15-13(17)16-5-6-18-10(2)8-16/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyJDYWGTHYYMOPTD-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.90
Rot. Bonds1

About N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide (PubChem CID 42929230) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide
PubChem CID42929230
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CCOC(C)C2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9-3-4-11(7-12(9)14)15-13(17)16-5-6-18-10(2)8-16/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,17)
InChIKeyJDYWGTHYYMOPTD-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide (CID 42929230) is N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide is Cc1ccc(NC(=O)N2CCOC(C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide?
The InChIKey is JDYWGTHYYMOPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-3-4-11(7-12(9)14)15-13(17)16-5-6-18-10(2)8-16/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 42929230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).