N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide

C16H15BrClNO — CID 53267510

IUPACN-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C16H15BrClNO/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18/h4-8H,1-3H3,(H,19,20)
InChIKeyANWTZOOWBBUCCW-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.28
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide

N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide (PubChem CID 53267510) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
PubChem CID53267510
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Br)cc2Cl)c(C)c1
InChIInChI=1S/C16H15BrClNO/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18/h4-8H,1-3H3,(H,19,20)
InChIKeyANWTZOOWBBUCCW-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
CID 6469057
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
CID 43347143
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 65307125

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide (CID 53267510) is N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(Br)cc2Cl)c(C)c1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide?
The InChIKey is ANWTZOOWBBUCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide?
N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide has a molecular weight of 352.66 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 53267510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).