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

C17H18BrNO3 — CID 17150898

IUPAC3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br
InChIInChI=1S/C17H18BrNO3/c1-11(2)22-16-7-5-4-6-14(16)19-17(20)12-8-9-15(21-3)13(18)10-12/h4-11H,1-3H3,(H,19,20)
InChIKeyPGMULZVWZFGTKS-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.50
Rot. Bonds5

About 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide

3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 17150898) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID17150898
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br
InChIInChI=1S/C17H18BrNO3/c1-11(2)22-16-7-5-4-6-14(16)19-17(20)12-8-9-15(21-3)13(18)10-12/h4-11H,1-3H3,(H,19,20)
InChIKeyPGMULZVWZFGTKS-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

3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130977
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
3-bromo-N-[(2-bromophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17355765
3-bromo-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 41369739
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1139228
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide (CID 17150898) is 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide is COc1ccc(C(=O)Nc2ccccc2OC(C)C)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is PGMULZVWZFGTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-11(2)22-16-7-5-4-6-14(16)19-17(20)12-8-9-15(21-3)13(18)10-12/h4-11H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide?
3-bromo-4-methoxy-N-(2-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 3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17150898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).