5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide

C22H26Cl2N4O3 — CID 4588294

IUPAC5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H26Cl2N4O3/c1-27(2)20-4-3-18(26-21(29)15-11-16(23)13-17(24)12-15)14-19(20)22(30)25-5-6-28-7-9-31-10-8-28/h3-4,11-14H,5-10H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyPULKRZPSCQGGBP-UHFFFAOYSA-N
MW465.38 g/mol
LogP3.37
Rot. Bonds7

About 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide

5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 4588294) has the molecular formula C22H26Cl2N4O3 and a molecular weight of 465.38 g/mol. Its IUPAC name is 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID4588294
Molecular FormulaC22H26Cl2N4O3
Molecular Weight465.38 g/mol
Exact Mass464.14
IUPAC Name5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H26Cl2N4O3/c1-27(2)20-4-3-18(26-21(29)15-11-16(23)13-17(24)12-15)14-19(20)22(30)25-5-6-28-7-9-31-10-8-28/h3-4,11-14H,5-10H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyPULKRZPSCQGGBP-UHFFFAOYSA-N
XLogP3.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 42747418
5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42747855
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 3531074
5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4265313
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42747432
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 4292194
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
5-[(4-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064583
5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5161419
5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063900

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide (CID 4588294) is 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide is CN(C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is PULKRZPSCQGGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O3/c1-27(2)20-4-3-18(26-21(29)15-11-16(23)13-17(24)12-15)14-19(20)22(30)25-5-6-28-7-9-31-10-8-28/h3-4,11-14H,5-10H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide?
5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 465.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 4588294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).