3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide

C16H15BrClNO2 — CID 81456873

IUPAC3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-9-4-5-11(7-12(9)17)16(20)19-14-6-10(2)13(18)8-15(14)21-3/h4-8H,1-3H3,(H,19,20)
InChIKeyJKLWBTJEAWIZJP-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.98
Rot. Bonds3

About 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide

3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide (PubChem CID 81456873) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
PubChem CID81456873
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H15BrClNO2/c1-9-4-5-11(7-12(9)17)16(20)19-14-6-10(2)13(18)8-15(14)21-3/h4-8H,1-3H3,(H,19,20)
InChIKeyJKLWBTJEAWIZJP-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
CID 2668909
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211
4-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045847
N-(4-chloro-2-methoxy-5-methylphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 52764041

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide (CID 81456873) is 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide?
The InChIKey is JKLWBTJEAWIZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-9-4-5-11(7-12(9)17)16(20)19-14-6-10(2)13(18)8-15(14)21-3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide?
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide has a molecular weight of 368.66 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 81456873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).