N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide

C15H13BrClNO2 — CID 106501147

IUPACN-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
SMILESCc1cc(C)c(NC(=O)c2cc(O)ccc2Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-8-5-9(2)14(12(16)6-8)18-15(20)11-7-10(19)3-4-13(11)17/h3-7,19H,1-2H3,(H,18,20)
InChIKeyCOHCGODMQCWUAW-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.68
Rot. Bonds2

About N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide

N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide (PubChem CID 106501147) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
PubChem CID106501147
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC NameN-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
SMILESCc1cc(C)c(NC(=O)c2cc(O)ccc2Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-8-5-9(2)14(12(16)6-8)18-15(20)11-7-10(19)3-4-13(11)17/h3-7,19H,1-2H3,(H,18,20)
InChIKeyCOHCGODMQCWUAW-UHFFFAOYSA-N
XLogP4.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
CID 103819127
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide
CID 107185608
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide
CID 106500146
N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
CID 115745964
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide (CID 106501147) is N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide is Cc1cc(C)c(NC(=O)c2cc(O)ccc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide?
The InChIKey is COHCGODMQCWUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-8-5-9(2)14(12(16)6-8)18-15(20)11-7-10(19)3-4-13(11)17/h3-7,19H,1-2H3,(H,18,20).
What are the key properties of N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide?
N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide has a molecular weight of 354.63 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106501147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).