5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide

C21H25ClN2O3 — CID 6463002

IUPAC5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide
SMILESO=C(NCCCN1CCOCC1)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C21H25ClN2O3/c22-18-7-8-20(27-16-17-5-2-1-3-6-17)19(15-18)21(25)23-9-4-10-24-11-13-26-14-12-24/h1-3,5-8,15H,4,9-14,16H2,(H,23,25)
InChIKeyIJNYSFGSBHDDNK-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.37
Rot. Bonds8

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

5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide (PubChem CID 6463002) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide
PubChem CID6463002
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide
SMILESO=C(NCCCN1CCOCC1)c1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C21H25ClN2O3/c22-18-7-8-20(27-16-17-5-2-1-3-6-17)19(15-18)21(25)23-9-4-10-24-11-13-26-14-12-24/h1-3,5-8,15H,4,9-14,16H2,(H,23,25)
InChIKeyIJNYSFGSBHDDNK-UHFFFAOYSA-N
XLogP3.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.37
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-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide?
The IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide (CID 6463002) is 5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide.
What is the SMILES notation for 5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide?
The canonical SMILES for 5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide is O=C(NCCCN1CCOCC1)c1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide?
The InChIKey is IJNYSFGSBHDDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c22-18-7-8-20(27-16-17-5-2-1-3-6-17)19(15-18)21(25)23-9-4-10-24-11-13-26-14-12-24/h1-3,5-8,15H,4,9-14,16H2,(H,23,25).
What are the key properties of 5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide?
5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide has a molecular weight of 388.90 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-morpholin-4-ylpropyl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 6463002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).