2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone

C17H22Cl2N2O2 — CID 15730152

IUPAC2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1CN1CCCC1
InChIInChI=1S/C17H22Cl2N2O2/c18-15-4-3-13(9-16(15)19)10-17(22)21-7-8-23-12-14(21)11-20-5-1-2-6-20/h3-4,9,14H,1-2,5-8,10-12H2
InChIKeyWMHPGXWZAOZGGE-UHFFFAOYSA-N
MW357.28 g/mol
LogP2.86
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone

2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone (PubChem CID 15730152) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
PubChem CID15730152
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1CN1CCCC1
InChIInChI=1S/C17H22Cl2N2O2/c18-15-4-3-13(9-16(15)19)10-17(22)21-7-8-23-12-14(21)11-20-5-1-2-6-20/h3-4,9,14H,1-2,5-8,10-12H2
InChIKeyWMHPGXWZAOZGGE-UHFFFAOYSA-N
XLogP2.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone (CID 15730152) is 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1CN1CCCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
The InChIKey is WMHPGXWZAOZGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c18-15-4-3-13(9-16(15)19)10-17(22)21-7-8-23-12-14(21)11-20-5-1-2-6-20/h3-4,9,14H,1-2,5-8,10-12H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone has a molecular weight of 357.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 15730152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).