N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride

C13H18Cl2N2O3 — CID 122148196

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)c1ccccc1Cl)C1CNCCO1
InChIInChI=1S/C13H17ClN2O3.ClH/c14-10-4-2-1-3-9(10)11(17)7-16-13(18)12-8-15-5-6-19-12;/h1-4,11-12,15,17H,5-8H2,(H,16,18);1H
InChIKeyBHASMIPCAOCZPJ-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.90
Rot. Bonds4

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride

N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 122148196) has the molecular formula C13H18Cl2N2O3 and a molecular weight of 321.20 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID122148196
Molecular FormulaC13H18Cl2N2O3
Molecular Weight321.20 g/mol
Exact Mass320.07
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC(O)c1ccccc1Cl)C1CNCCO1
InChIInChI=1S/C13H17ClN2O3.ClH/c14-10-4-2-1-3-9(10)11(17)7-16-13(18)12-8-15-5-6-19-12;/h1-4,11-12,15,17H,5-8H2,(H,16,18);1H
InChIKeyBHASMIPCAOCZPJ-UHFFFAOYSA-N
XLogP0.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119807139
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CID 119803971
N-[2-[benzyl(methyl)amino]propyl]morpholine-2-carboxamide
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CID 119702761
(2R)-N-(2-aminopropyl)morpholine-2-carboxamide;hydrochloride
CID 130680040
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119774356
N-[2-(2-propan-2-ylphenoxy)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119784414
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
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CID 119686063

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride (CID 122148196) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NCC(O)c1ccccc1Cl)C1CNCCO1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is BHASMIPCAOCZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3.ClH/c14-10-4-2-1-3-9(10)11(17)7-16-13(18)12-8-15-5-6-19-12;/h1-4,11-12,15,17H,5-8H2,(H,16,18);1H.
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 321.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 122148196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).