4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide

C24H23ClFNO2 — CID 7959388

IUPAC4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C24H23ClFNO2/c1-24(2,3)18-8-11-20(12-9-18)29-15-16-4-6-17(7-5-16)23(28)27-22-13-10-19(26)14-21(22)25/h4-14H,15H2,1-3H3,(H,27,28)
InChIKeyZHEQEWRWBNBKNK-UHFFFAOYSA-N
MW411.90 g/mol
LogP6.61
Rot. Bonds5

About 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide

4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide (PubChem CID 7959388) has the molecular formula C24H23ClFNO2 and a molecular weight of 411.90 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide
PubChem CID7959388
Molecular FormulaC24H23ClFNO2
Molecular Weight411.90 g/mol
Exact Mass411.14
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)cc1
InChIInChI=1S/C24H23ClFNO2/c1-24(2,3)18-8-11-20(12-9-18)29-15-16-4-6-17(7-5-16)23(28)27-22-13-10-19(26)14-21(22)25/h4-14H,15H2,1-3H3,(H,27,28)
InChIKeyZHEQEWRWBNBKNK-UHFFFAOYSA-N
XLogP6.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.90
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)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 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide (CID 7959388) is 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide?
The InChIKey is ZHEQEWRWBNBKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFNO2/c1-24(2,3)18-8-11-20(12-9-18)29-15-16-4-6-17(7-5-16)23(28)27-22-13-10-19(26)14-21(22)25/h4-14H,15H2,1-3H3,(H,27,28).
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide?
4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide has a molecular weight of 411.90 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-N-(2-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 7959388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).