5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide

C15H20ClN3O3 — CID 139237672

IUPAC5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C15H20ClN3O3/c1-10-7-11(16)8-12(15(21)17-2)14(10)18-13(20)9-19-3-5-22-6-4-19/h7-8H,3-6,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyOTUICEPDEVTCKB-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.28
Rot. Bonds4

About 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide

5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide (PubChem CID 139237672) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
PubChem CID139237672
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C15H20ClN3O3/c1-10-7-11(16)8-12(15(21)17-2)14(10)18-13(20)9-19-3-5-22-6-4-19/h7-8H,3-6,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyOTUICEPDEVTCKB-UHFFFAOYSA-N
XLogP1.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide?
The IUPAC name of 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide (CID 139237672) is 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide.
What is the SMILES notation for 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide?
The canonical SMILES for 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)CN1CCOCC1.
What is the InChIKey of 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide?
The InChIKey is OTUICEPDEVTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-10-7-11(16)8-12(15(21)17-2)14(10)18-13(20)9-19-3-5-22-6-4-19/h7-8H,3-6,9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide?
5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide has a molecular weight of 325.80 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide is sourced from PubChem (CID 139237672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).