N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide

C13H17ClN2O3 — CID 81218679

IUPACN-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide
SMILESCC1COC(CO)CN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-9-8-19-10(7-17)6-16(9)13(18)15-12-5-3-2-4-11(12)14/h2-5,9-10,17H,6-8H2,1H3,(H,15,18)
InChIKeyUJJWSUHFPTVCTM-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.95
Rot. Bonds2

About N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide

N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide (PubChem CID 81218679) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide
PubChem CID81218679
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide
SMILESCC1COC(CO)CN1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-9-8-19-10(7-17)6-16(9)13(18)15-12-5-3-2-4-11(12)14/h2-5,9-10,17H,6-8H2,1H3,(H,15,18)
InChIKeyUJJWSUHFPTVCTM-UHFFFAOYSA-N
XLogP1.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 124741603
(2-hydrazinylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81214213
2-(2,3-dichlorophenyl)-1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 124741604
(2-chloro-6-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81209256
(3-chloro-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81266511
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
CID 81217697
(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 110027448
5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 81197548
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935529
N-(2-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 55104624

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide (CID 81218679) is N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide is CC1COC(CO)CN1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide?
The InChIKey is UJJWSUHFPTVCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-9-8-19-10(7-17)6-16(9)13(18)15-12-5-3-2-4-11(12)14/h2-5,9-10,17H,6-8H2,1H3,(H,15,18).
What are the key properties of N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide?
N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide is sourced from PubChem (CID 81218679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).