N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide

C16H20Cl2N2O3 — CID 9246546

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O3/c17-13-2-1-12(14(18)11-13)5-6-19-15(21)3-4-16(22)20-7-9-23-10-8-20/h1-2,11H,3-10H2,(H,19,21)
InChIKeyXJXFUAHAYGWPST-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide

N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 9246546) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID9246546
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O3/c17-13-2-1-12(14(18)11-13)5-6-19-15(21)3-4-16(22)20-7-9-23-10-8-20/h1-2,11H,3-10H2,(H,19,21)
InChIKeyXJXFUAHAYGWPST-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 1094119
2,4-dichloro-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2165284
N1-(2,4-dichlorobenzyl)-N4-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 24748561
N-(2,4-dichlorobenzyl)-1-(2-ethoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 45487786
4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide
CID 25162499
1-[bis(4-chlorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 44528938
N-[4-(4-chlorophenyl)butyl]-4-piperidin-1-ylbutanamide;hydrochloride
CID 73348065
1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide
CID 118726856
2-(2,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2473843
2-(2,4-dichlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4795243
(E)-3-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 759747
9-[2-(4-Chlorophenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 13061735

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide (CID 9246546) is N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide is O=C(CCC(=O)N1CCOCC1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is XJXFUAHAYGWPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c17-13-2-1-12(14(18)11-13)5-6-19-15(21)3-4-16(22)20-7-9-23-10-8-20/h1-2,11H,3-10H2,(H,19,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 359.25 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 9246546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).