4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide

C15H13BrClNO3 — CID 78987859

IUPAC4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2OC)c1
InChIInChI=1S/C15H13BrClNO3/c1-20-10-4-6-12(17)13(8-10)18-15(19)11-5-3-9(16)7-14(11)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyKKWOKZVEXWKSCF-UHFFFAOYSA-N
MW370.63 g/mol
LogP4.37
Rot. Bonds4

About 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide

4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide (PubChem CID 78987859) has the molecular formula C15H13BrClNO3 and a molecular weight of 370.63 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide
PubChem CID78987859
Molecular FormulaC15H13BrClNO3
Molecular Weight370.63 g/mol
Exact Mass368.98
IUPAC Name4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2OC)c1
InChIInChI=1S/C15H13BrClNO3/c1-20-10-4-6-12(17)13(8-10)18-15(19)11-5-3-9(16)7-14(11)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyKKWOKZVEXWKSCF-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
4-bromo-N-(2-chloro-4-iodophenyl)-2-methoxybenzamide
CID 78987641
N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide
CID 1154183
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide (CID 78987859) is 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide is COc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2OC)c1.
What is the InChIKey of 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide?
The InChIKey is KKWOKZVEXWKSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3/c1-20-10-4-6-12(17)13(8-10)18-15(19)11-5-3-9(16)7-14(11)21-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide?
4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide has a molecular weight of 370.63 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide is sourced from PubChem (CID 78987859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).