4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide

C17H24ClN3O3 — CID 25163571

IUPAC4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C17H24ClN3O3/c18-15-4-2-14(3-5-15)17(23)20-8-6-16(22)19-7-1-9-21-10-12-24-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23)
InChIKeyWUMYSACTBJIWOP-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.30
Rot. Bonds8

About 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide

4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide (PubChem CID 25163571) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide
PubChem CID25163571
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C17H24ClN3O3/c18-15-4-2-14(3-5-15)17(23)20-8-6-16(22)19-7-1-9-21-10-12-24-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23)
InChIKeyWUMYSACTBJIWOP-UHFFFAOYSA-N
XLogP1.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Moclobemide
CID 4235
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
4-Chloro-N-(2-hydroxyethyl)benzamide
CID 233979
1-(3-Chlorobenzoyl)piperazine
CID 1074765
4-(2-Chlorobenzoyl)-morpholine
CID 225451
4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide
CID 403373
Benzamide derivative 11
CID 41306362
[2-(Ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 2571604
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 567688
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
ethyl 4-[(4-chlorobenzoyl)amino]tetrahydro-1(2H)-pyridinecarboxylate
CID 2815504

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide (CID 25163571) is 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NCCCN1CCOCC1.
What is the InChIKey of 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide?
The InChIKey is WUMYSACTBJIWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c18-15-4-2-14(3-5-15)17(23)20-8-6-16(22)19-7-1-9-21-10-12-24-13-11-21/h2-5H,1,6-13H2,(H,19,22)(H,20,23).
What are the key properties of 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide?
4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide has a molecular weight of 353.85 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 25163571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).