2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide

C15H14ClNO2 — CID 706333

IUPAC2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide
SMILESCc1cc(O)cc(C)c1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-9-7-11(18)8-10(2)14(9)17-15(19)12-5-3-4-6-13(12)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyTZAKKWRHIHZWQK-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.91
Rot. Bonds2

About 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide

2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide (PubChem CID 706333) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide
PubChem CID706333
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide
SMILESCc1cc(O)cc(C)c1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-9-7-11(18)8-10(2)14(9)17-15(19)12-5-3-4-6-13(12)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyTZAKKWRHIHZWQK-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.91
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-2,6-dimethylphenyl)-2-iodobenzamide
CID 5120738
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
CID 1333791
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
N-(2-chloro-4,6-dimethyl-3-pyridinyl)-2-hydroxybenzamide
CID 15168931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide (CID 706333) is 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide is Cc1cc(O)cc(C)c1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide?
The InChIKey is TZAKKWRHIHZWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-7-11(18)8-10(2)14(9)17-15(19)12-5-3-4-6-13(12)16/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide?
2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide has a molecular weight of 275.74 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 706333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).