N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide

C22H25Cl2N3O2 — CID 42747228

IUPACN-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H25Cl2N3O2/c1-27(2)20-11-9-16(26-21(28)17-10-8-14(23)12-19(17)24)13-18(20)22(29)25-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyMUAHMQNRTDFOFK-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.37
Rot. Bonds5

About N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide

N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide (PubChem CID 42747228) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
PubChem CID42747228
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC NameN-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H25Cl2N3O2/c1-27(2)20-11-9-16(26-21(28)17-10-8-14(23)12-19(17)24)13-18(20)22(29)25-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyMUAHMQNRTDFOFK-UHFFFAOYSA-N
XLogP5.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3299631
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 1064549
N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 5024938
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 4317913
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide?
The IUPAC name of N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide (CID 42747228) is N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide?
The canonical SMILES for N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide is CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide?
The InChIKey is MUAHMQNRTDFOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-27(2)20-11-9-16(26-21(28)17-10-8-14(23)12-19(17)24)13-18(20)22(29)25-15-6-4-3-5-7-15/h8-13,15H,3-7H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide?
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide has a molecular weight of 434.37 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide is sourced from PubChem (CID 42747228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).