5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide

C14H11BrClNO2 — CID 65307125

IUPAC5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H11BrClNO2/c1-8-2-3-9(15)6-11(8)14(19)17-13-5-4-10(18)7-12(13)16/h2-7,18H,1H3,(H,17,19)
InChIKeyAPEDLCQEGMZNOZ-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.37
Rot. Bonds2

About 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide

5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide (PubChem CID 65307125) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
PubChem CID65307125
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C14H11BrClNO2/c1-8-2-3-9(15)6-11(8)14(19)17-13-5-4-10(18)7-12(13)16/h2-7,18H,1H3,(H,17,19)
InChIKeyAPEDLCQEGMZNOZ-UHFFFAOYSA-N
XLogP4.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.37
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

5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
5-amino-N-(5-bromo-2-chlorophenyl)-2-methylbenzamide
CID 62913176
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
2-chloro-N-(2,4-dibromophenyl)-5-hydroxybenzamide
CID 106501538

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide (CID 65307125) is 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide?
The InChIKey is APEDLCQEGMZNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c1-8-2-3-9(15)6-11(8)14(19)17-13-5-4-10(18)7-12(13)16/h2-7,18H,1H3,(H,17,19).
What are the key properties of 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide?
5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide has a molecular weight of 340.60 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 65307125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).