4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide

C15H13BrClNO2 — CID 78987495

IUPAC4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H13BrClNO2/c1-9-7-11(17)4-6-13(9)18-15(19)12-5-3-10(16)8-14(12)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyAQNYQADIEVGIGE-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.67
Rot. Bonds3

About 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide

4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide (PubChem CID 78987495) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
PubChem CID78987495
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H13BrClNO2/c1-9-7-11(17)4-6-13(9)18-15(19)12-5-3-10(16)8-14(12)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyAQNYQADIEVGIGE-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetamido-5-bromophenyl)-4-chloro-2-methoxybenzamide
CID 52851584
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
CID 104756975
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide (CID 78987495) is 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide?
The InChIKey is AQNYQADIEVGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-7-11(17)4-6-13(9)18-15(19)12-5-3-10(16)8-14(12)20-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide?
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide has a molecular weight of 354.63 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 78987495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).