N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide

C23H28Cl2N2O2 — CID 2346188

IUPACN-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)NCCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H28Cl2N2O2/c1-14-8-17(23(3,4)5)9-15(2)20(14)13-21(28)26-6-7-27-22(29)16-10-18(24)12-19(25)11-16/h8-12H,6-7,13H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyRURPSVICCOMWKL-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.00
Rot. Bonds6

About N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide

N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide (PubChem CID 2346188) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide
PubChem CID2346188
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC NameN-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)NCCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H28Cl2N2O2/c1-14-8-17(23(3,4)5)9-15(2)20(14)13-21(28)26-6-7-27-22(29)16-10-18(24)12-19(25)11-16/h8-12H,6-7,13H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyRURPSVICCOMWKL-UHFFFAOYSA-N
XLogP5.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide 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

tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 52778263
N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2347604
3,5-dichloro-N-propylbenzamide
CID 2767298
3,5-diacetamido-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]benzamide
CID 9488838
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
3,5-dichloro-N-(4-chloro-2,2-dimethylbutyl)benzamide
CID 114149347
N-but-3-ynyl-3-chloro-5-methylbenzamide
CID 81002293
N-(5-bromopentyl)-3,5-dichlorobenzamide
CID 107322072
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide (CID 2346188) is N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide is Cc1cc(C(C)(C)C)cc(C)c1CC(=O)NCCNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide?
The InChIKey is RURPSVICCOMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-14-8-17(23(3,4)5)9-15(2)20(14)13-21(28)26-6-7-27-22(29)16-10-18(24)12-19(25)11-16/h8-12H,6-7,13H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide?
N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide has a molecular weight of 435.40 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 2346188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).