N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride

C13H17Cl3N2O2 — CID 119682446

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C1COCCN1.Cl
InChIInChI=1S/C13H16Cl2N2O2.ClH/c1-17(13(18)11-8-19-6-5-16-11)7-9-3-2-4-10(14)12(9)15;/h2-4,11,16H,5-8H2,1H3;1H
InChIKeyXAFRXQKQJPIBMS-UHFFFAOYSA-N
MW339.65 g/mol
LogP2.36
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride

N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 119682446) has the molecular formula C13H17Cl3N2O2 and a molecular weight of 339.65 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID119682446
Molecular FormulaC13H17Cl3N2O2
Molecular Weight339.65 g/mol
Exact Mass338.04
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C1COCCN1.Cl
InChIInChI=1S/C13H16Cl2N2O2.ClH/c1-17(13(18)11-8-19-6-5-16-11)7-9-3-2-4-10(14)12(9)15;/h2-4,11,16H,5-8H2,1H3;1H
InChIKeyXAFRXQKQJPIBMS-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.65
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474
(2S,4S)-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120617441
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119690480
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
3-[(2,3-dichlorophenyl)methyl]morpholine
CID 82294990
N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 115177667
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119694754
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119683148
N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 115177610

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride (CID 119682446) is N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride is CN(Cc1cccc(Cl)c1Cl)C(=O)C1COCCN1.Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is XAFRXQKQJPIBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2.ClH/c1-17(13(18)11-8-19-6-5-16-11)7-9-3-2-4-10(14)12(9)15;/h2-4,11,16H,5-8H2,1H3;1H.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 339.65 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119682446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).