2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

C21H24ClN3O5 — CID 649410

IUPAC2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C21H24ClN3O5/c1-28-18-12-17(24-21(27)14-5-3-4-6-15(14)22)19(29-2)11-16(18)23-20(26)13-25-7-9-30-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGUTULKWQVWMTLL-UHFFFAOYSA-N
MW433.89 g/mol
LogP2.88
Rot. Bonds7

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

2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (PubChem CID 649410) has the molecular formula C21H24ClN3O5 and a molecular weight of 433.89 g/mol. Its IUPAC name is 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
PubChem CID649410
Molecular FormulaC21H24ClN3O5
Molecular Weight433.89 g/mol
Exact Mass433.14
IUPAC Name2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C21H24ClN3O5/c1-28-18-12-17(24-21(27)14-5-3-4-6-15(14)22)19(29-2)11-16(18)23-20(26)13-25-7-9-30-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGUTULKWQVWMTLL-UHFFFAOYSA-N
XLogP2.88
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (CID 649410) is 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The InChIKey is GUTULKWQVWMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5/c1-28-18-12-17(24-21(27)14-5-3-4-6-15(14)22)19(29-2)11-16(18)23-20(26)13-25-7-9-30-10-8-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide has a molecular weight of 433.89 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,5-dimethoxy-4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 649410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).