2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone

C19H27ClN2O2 — CID 56800439

IUPAC2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(Cc2ccccc2Cl)C2CCCC2)CCO1
InChIInChI=1S/C19H27ClN2O2/c1-15-12-21(10-11-24-15)19(23)14-22(17-7-3-4-8-17)13-16-6-2-5-9-18(16)20/h2,5-6,9,15,17H,3-4,7-8,10-14H2,1H3
InChIKeyMJDIQYWQSXRTAU-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.33
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone

2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 56800439) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID56800439
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(Cc2ccccc2Cl)C2CCCC2)CCO1
InChIInChI=1S/C19H27ClN2O2/c1-15-12-21(10-11-24-15)19(23)14-22(17-7-3-4-8-17)13-16-6-2-5-9-18(16)20/h2,5-6,9,15,17H,3-4,7-8,10-14H2,1H3
InChIKeyMJDIQYWQSXRTAU-UHFFFAOYSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6465678
4-(2-Chlorobenzyl)-2,6-dimethylmorpholine
CID 2843397
N-(4-chlorobenzyl)-N'-[3-(4-morpholinyl)propyl]ethanediamide
CID 2172999
N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
CID 2697528
1-(2-chlorobenzyl)-N-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3238737
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16002576
2-(4-chlorophenyl)-N-cyclopentyl-2-morpholin-4-ylacetamide
CID 4350501
2-({[(2-Chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 16193386
US11077113, Example 4
CID 130344641
6-(2-Chlorophenyl)-1-methyl-4-morpholino-pyridin-2-one
CID 130344722
4-Morpholineacetamide, N-(p-chlorobenzyl)-alpha-methyl-, monohydrochloride
CID 121409
JOH-UNI-0e1753c1-4
CID 156906480

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone (CID 56800439) is 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN(Cc2ccccc2Cl)C2CCCC2)CCO1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is MJDIQYWQSXRTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-15-12-21(10-11-24-15)19(23)14-22(17-7-3-4-8-17)13-16-6-2-5-9-18(16)20/h2,5-6,9,15,17H,3-4,7-8,10-14H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone?
2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 350.89 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-cyclopentylamino]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 56800439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).