3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide

C19H21Cl2NO2 — CID 118641906

IUPAC3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide
SMILESCc1ccc(NC(=O)c2c(C)c(Cl)cc(C(C)(C)C)c2O)c(Cl)c1
InChIInChI=1S/C19H21Cl2NO2/c1-10-6-7-15(14(21)8-10)22-18(24)16-11(2)13(20)9-12(17(16)23)19(3,4)5/h6-9,23H,1-5H3,(H,22,24)
InChIKeyZPXYYRRVFWQBQK-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.87
Rot. Bonds2

About 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide

3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide (PubChem CID 118641906) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide
PubChem CID118641906
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide
SMILESCc1ccc(NC(=O)c2c(C)c(Cl)cc(C(C)(C)C)c2O)c(Cl)c1
InChIInChI=1S/C19H21Cl2NO2/c1-10-6-7-15(14(21)8-10)22-18(24)16-11(2)13(20)9-12(17(16)23)19(3,4)5/h6-9,23H,1-5H3,(H,22,24)
InChIKeyZPXYYRRVFWQBQK-UHFFFAOYSA-N
XLogP5.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane
CID 143324950
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-5-fluoro-2-hydroxy-6-methylbenzamide
CID 162581890
3,5-ditert-butyl-N-(2-chloro-4-tritylphenyl)-2,6-dihydroxybenzamide
CID 174538499
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-5-(dimethylsulfamoyl)-2-hydroxy-6-methylbenzamide
CID 11962803
5-tert-butyl-3-[[2-chloro-4-(trifluoromethylsulfonyl)phenyl]carbamoyl]-4-hydroxy-2-methylbenzenesulfinate
CID 59191196
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 11962318
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-propylsulfanylbenzamide
CID 57432686
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(2-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 30734863
N-(2-chloro-4-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696175
3-amino-5-bromo-N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 107872142

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide?
The IUPAC name of 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide (CID 118641906) is 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide.
What is the SMILES notation for 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide?
The canonical SMILES for 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide is Cc1ccc(NC(=O)c2c(C)c(Cl)cc(C(C)(C)C)c2O)c(Cl)c1.
What is the InChIKey of 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide?
The InChIKey is ZPXYYRRVFWQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-10-6-7-15(14(21)8-10)22-18(24)16-11(2)13(20)9-12(17(16)23)19(3,4)5/h6-9,23H,1-5H3,(H,22,24).
What are the key properties of 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide?
3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide has a molecular weight of 366.29 g/mol, XLogP of 5.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide is sourced from PubChem (CID 118641906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).