N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride

C13H18Cl2N2O2 — CID 119685359

IUPACN-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-9(10-3-2-4-11(14)7-10)16-13(17)12-8-15-5-6-18-12;/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17);1H
InChIKeyJGWYSPLRJDYQKJ-UHFFFAOYSA-N
MW305.20 g/mol
LogP1.93
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride

N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119685359) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119685359
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC NameN-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-9(10-3-2-4-11(14)7-10)16-13(17)12-8-15-5-6-18-12;/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17);1H
InChIKeyJGWYSPLRJDYQKJ-UHFFFAOYSA-N
XLogP1.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
N-[1-(3-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119716523
N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119900435
N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119788735
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119691331
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119722017
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride (CID 119685359) is N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride is CC(NC(=O)C1CNCCO1)c1cccc(Cl)c1.Cl.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is JGWYSPLRJDYQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c1-9(10-3-2-4-11(14)7-10)16-13(17)12-8-15-5-6-18-12;/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17);1H.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride?
N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119685359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).