2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide

C17H18BrNO3 — CID 55749089

IUPAC2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C17H18BrNO3/c1-11(2)22-13-6-4-12(5-7-13)19-17(20)15-10-14(21-3)8-9-16(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyJUNIQPCDBQIMQO-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.50
Rot. Bonds5

About 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide

2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 55749089) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID55749089
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C17H18BrNO3/c1-11(2)22-13-6-4-12(5-7-13)19-17(20)15-10-14(21-3)8-9-16(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyJUNIQPCDBQIMQO-UHFFFAOYSA-N
XLogP4.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
CID 114370108
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
2-bromo-N-(4-methoxyphenyl)-5-sulfanylbenzamide
CID 107019316
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide (CID 55749089) is 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide is COc1ccc(Br)c(C(=O)Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is JUNIQPCDBQIMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-11(2)22-13-6-4-12(5-7-13)19-17(20)15-10-14(21-3)8-9-16(15)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide?
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 364.24 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 55749089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).