3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide

C17H18ClNO2 — CID 706296

IUPAC3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-10(2)14-9-15(11(3)7-16(14)20)19-17(21)12-5-4-6-13(18)8-12/h4-10,20H,1-3H3,(H,19,21)
InChIKeyPHYQGXHRUIJUAR-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.73
Rot. Bonds3

About 3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide

3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide (PubChem CID 706296) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
PubChem CID706296
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-10(2)14-9-15(11(3)7-16(14)20)19-17(21)12-5-4-6-13(18)8-12/h4-10,20H,1-3H3,(H,19,21)
InChIKeyPHYQGXHRUIJUAR-UHFFFAOYSA-N
XLogP4.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide (CID 706296) is 3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The InChIKey is PHYQGXHRUIJUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-10(2)14-9-15(11(3)7-16(14)20)19-17(21)12-5-4-6-13(18)8-12/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of 3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
3-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide has a molecular weight of 303.79 g/mol, XLogP of 4.73, 3 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-methyl-5-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 706296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).