3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide

C21H24Cl3NO2 — CID 134094104

IUPAC3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H24Cl3NO2/c1-20(2,3)12-7-11(8-13(18(12)26)21(4,5)6)19(27)25-17-10-15(23)14(22)9-16(17)24/h7-10,26H,1-6H3,(H,25,27)
InChIKeyOKNDWQJIVYLEMI-UHFFFAOYSA-N
MW428.79 g/mol
LogP7.20
Rot. Bonds2

About 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide

3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 134094104) has the molecular formula C21H24Cl3NO2 and a molecular weight of 428.79 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID134094104
Molecular FormulaC21H24Cl3NO2
Molecular Weight428.79 g/mol
Exact Mass427.09
IUPAC Name3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(C(C)(C)C)c1O
InChIInChI=1S/C21H24Cl3NO2/c1-20(2,3)12-7-11(8-13(18(12)26)21(4,5)6)19(27)25-17-10-15(23)14(22)9-16(17)24/h7-10,26H,1-6H3,(H,25,27)
InChIKeyOKNDWQJIVYLEMI-UHFFFAOYSA-N
XLogP7.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.79
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)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

3,5-dichloro-N-(2,4,5-trichlorophenyl)benzamide
CID 17133480
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
3,5-ditert-butyl-4-hydroxy-N-[4-[(4-hydroxyphenyl)carbamoyl]phenyl]benzamide
CID 54076657
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide
CID 134094274
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
5-nitro-1-N,3-N-bis(2,4,5-trichlorophenyl)benzene-1,3-dicarboxamide
CID 3379159
N-[2-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]phenyl]-4-methylpiperazine-1-carboxamide
CID 23370068
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3-tert-butyl-5-chloro-4-hydroxy-N-(2-methylpropyl)benzamide
CID 134123782

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide (CID 134094104) is 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide is CC(C)(C)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(C(C)(C)C)c1O.
What is the InChIKey of 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is OKNDWQJIVYLEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl3NO2/c1-20(2,3)12-7-11(8-13(18(12)26)21(4,5)6)19(27)25-17-10-15(23)14(22)9-16(17)24/h7-10,26H,1-6H3,(H,25,27).
What are the key properties of 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide?
3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 428.79 g/mol, XLogP of 7.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 134094104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).