5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

C15H21ClN2O3 — CID 5210947

IUPAC5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H21ClN2O3/c1-20-14-4-3-12(16)11-13(14)15(19)17-5-2-6-18-7-9-21-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19)
InChIKeyYSRAMFXXVCRGFP-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.80
Rot. Bonds6

About 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 5210947) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID5210947
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H21ClN2O3/c1-20-14-4-3-12(16)11-13(14)15(19)17-5-2-6-18-7-9-21-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19)
InChIKeyYSRAMFXXVCRGFP-UHFFFAOYSA-N
XLogP1.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 5210947) is 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(Cl)cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is YSRAMFXXVCRGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-20-14-4-3-12(16)11-13(14)15(19)17-5-2-6-18-7-9-21-10-8-18/h3-4,11H,2,5-10H2,1H3,(H,17,19).
What are the key properties of 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 312.80 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 5210947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).