2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide

C13H16Cl2N2O2 — CID 567688

IUPAC2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-10-1-2-12(15)11(9-10)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18)
InChIKeyLQMUIUYYANJRRA-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.06
Rot. Bonds4

About 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide

2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 567688) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID567688
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-10-1-2-12(15)11(9-10)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18)
InChIKeyLQMUIUYYANJRRA-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide (CID 567688) is 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is LQMUIUYYANJRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-10-1-2-12(15)11(9-10)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18).
What are the key properties of 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide?
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 303.19 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 567688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).