3-chloro-N-(3-morpholin-4-ylpropyl)benzamide

C14H19ClN2O2 — CID 2276461

IUPAC3-chloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-13-4-1-3-12(11-13)14(18)16-5-2-6-17-7-9-19-10-8-17/h1,3-4,11H,2,5-10H2,(H,16,18)
InChIKeyLYQBYZMVXKGDED-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.79
Rot. Bonds5

About 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide

3-chloro-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 2276461) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID2276461
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-chloro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-13-4-1-3-12(11-13)14(18)16-5-2-6-17-7-9-19-10-8-17/h1,3-4,11H,2,5-10H2,(H,16,18)
InChIKeyLYQBYZMVXKGDED-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.79
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 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide (CID 2276461) is 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is LYQBYZMVXKGDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-4-1-3-12(11-13)14(18)16-5-2-6-17-7-9-19-10-8-17/h1,3-4,11H,2,5-10H2,(H,16,18).
What are the key properties of 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide?
3-chloro-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 282.77 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 2276461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).