3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide

C16H16ClNO2 — CID 106834998

IUPAC3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2cc(C)c(O)cc2C)c1
InChIInChI=1S/C16H16ClNO2/c1-9-4-12(8-13(17)5-9)16(20)18-14-6-11(3)15(19)7-10(14)2/h4-8,19H,1-3H3,(H,18,20)
InChIKeyUCHNBNODIDKAPO-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.22
Rot. Bonds2

About 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide

3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide (PubChem CID 106834998) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide
PubChem CID106834998
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2cc(C)c(O)cc2C)c1
InChIInChI=1S/C16H16ClNO2/c1-9-4-12(8-13(17)5-9)16(20)18-14-6-11(3)15(19)7-10(14)2/h4-8,19H,1-3H3,(H,18,20)
InChIKeyUCHNBNODIDKAPO-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.22
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-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
N-(4-hydroxy-2,5-dimethylphenyl)-5-methylpyridine-3-carboxamide
CID 106834683
2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
CID 106954276
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dinitrobenzamide
CID 5120754
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
1-(3,5-dichlorophenyl)-3-(4-hydroxy-2,5-dimethylphenyl)urea
CID 107653706
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
N-(2-bromophenyl)-3-chloro-5-methylbenzamide
CID 80948909
N-(4-amino-2-fluorophenyl)-3-chloro-5-methylbenzamide
CID 81326271
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide (CID 106834998) is 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)Nc2cc(C)c(O)cc2C)c1.
What is the InChIKey of 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide?
The InChIKey is UCHNBNODIDKAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-9-4-12(8-13(17)5-9)16(20)18-14-6-11(3)15(19)7-10(14)2/h4-8,19H,1-3H3,(H,18,20).
What are the key properties of 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide?
3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylbenzamide is sourced from PubChem (CID 106834998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).