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

C15H13Cl2NO2 — CID 107675698

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H13Cl2NO2/c1-8-3-9(2)5-10(4-8)15(20)18-13-7-11(16)6-12(17)14(13)19/h3-7,19H,1-2H3,(H,18,20)
InChIKeyZIDDDXDQAMJMGU-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.57
Rot. Bonds2

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

N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide (PubChem CID 107675698) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
PubChem CID107675698
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H13Cl2NO2/c1-8-3-9(2)5-10(4-8)15(20)18-13-7-11(16)6-12(17)14(13)19/h3-7,19H,1-2H3,(H,18,20)
InChIKeyZIDDDXDQAMJMGU-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103958263
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(3,5-dichloro-2-hydroxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103891192
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide
CID 106834998
N-(3,5-dichloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 103891250
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
CID 22082160

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide (CID 107675698) is N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide?
The InChIKey is ZIDDDXDQAMJMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-8-3-9(2)5-10(4-8)15(20)18-13-7-11(16)6-12(17)14(13)19/h3-7,19H,1-2H3,(H,18,20).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide?
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-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-2-hydroxyphenyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 107675698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).