N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide

C13H17ClN2O2 — CID 115575696

IUPACN-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-10(11-4-2-3-5-12(11)14)15-13(17)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyNXMYJOMNWXLJSW-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.44
Rot. Bonds2

About N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide

N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide (PubChem CID 115575696) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
PubChem CID115575696
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
SMILESCC(NC(=O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-10(11-4-2-3-5-12(11)14)15-13(17)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyNXMYJOMNWXLJSW-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylmorpholine-4-carboxamide
CID 760018
2-(2-Chlorophenyl)-2-(morpholin-4-yl)ethylamine
CID 3847395
N1-(2,4-dichlorobenzyl)-N4-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 24748561
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
methyl N-[(2-chlorobenzyl)carbamoyl]-L-valinate
CID 664515
2-({[(2-Chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-[3-(morpholin-4-YL)propyl]acetamide
CID 16193394
N-[(4-chlorophenyl)methyl]morpholine-4-carboxamide
CID 743788
N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
CID 2697528
N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
CID 59252116
Morpholine, 4,4'-(o-chlorobenzylidene)di-
CID 3057358
2-(4-Chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 16461923
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5307864

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide (CID 115575696) is N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide is CC(NC(=O)N1CCOCC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide?
The InChIKey is NXMYJOMNWXLJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-10(11-4-2-3-5-12(11)14)15-13(17)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3,(H,15,17).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide?
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 115575696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).