N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide

C15H13Cl2NO2 — CID 82884847

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13Cl2NO2/c1-8-3-4-11(9(2)5-8)15(20)18-10-6-12(16)14(19)13(17)7-10/h3-7,19H,1-2H3,(H,18,20)
InChIKeyYCSHSXZBUXYHTI-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.57
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide

N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide (PubChem CID 82884847) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide
PubChem CID82884847
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13Cl2NO2/c1-8-3-4-11(9(2)5-8)15(20)18-10-6-12(16)14(19)13(17)7-10/h3-7,19H,1-2H3,(H,18,20)
InChIKeyYCSHSXZBUXYHTI-UHFFFAOYSA-N
XLogP4.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)-2,4-dimethylbenzamide
CID 64788271
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-2-methylbenzamide
CID 82885279
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
N-(4-amino-2,6-dichlorophenyl)-2,4-dimethylbenzamide
CID 16772418
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,5-dimethylphenyl)acetamide
CID 82880107
N-(2-chloro-4-iodophenyl)-2,4-dimethylbenzamide
CID 1287536
N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 1395879
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide (CID 82884847) is N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide?
The InChIKey is YCSHSXZBUXYHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-8-3-4-11(9(2)5-8)15(20)18-10-6-12(16)14(19)13(17)7-10/h3-7,19H,1-2H3,(H,18,20).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide has a molecular weight of 310.18 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 82884847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).