2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide

C14H18Cl2N2O2 — CID 2165284

IUPAC2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19)
InChIKeyCJPSMOMEKBJZQB-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.45
Rot. Bonds5

About 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide

2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2165284) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2165284
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19)
InChIKeyCJPSMOMEKBJZQB-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide (CID 2165284) is 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is CJPSMOMEKBJZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-2-3-12(13(16)10-11)14(19)17-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H,17,19).
What are the key properties of 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide?
2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 317.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2165284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).