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

C17H18BrNO2 — CID 103853348

IUPAC2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(OC(C)C)cc2)c1Br
InChIInChI=1S/C17H18BrNO2/c1-11(2)21-14-9-7-13(8-10-14)19-17(20)15-6-4-5-12(3)16(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyYQMHHBJFFMBOSR-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.80
Rot. Bonds4

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

2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 103853348) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID103853348
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(OC(C)C)cc2)c1Br
InChIInChI=1S/C17H18BrNO2/c1-11(2)21-14-9-7-13(8-10-14)19-17(20)15-6-4-5-12(3)16(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyYQMHHBJFFMBOSR-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide
CID 103988657
2-bromo-N-(4-butan-2-ylphenyl)-3-methylbenzamide
CID 107982420
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
2-bromo-N-[4-(2-chloroethyl)phenyl]-3-methylbenzamide
CID 107983954
2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
CID 114370108
2-methyl-N-[3-methyl-1-oxo-1-(4-propan-2-yloxyanilino)butan-2-yl]benzamide
CID 55748966
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340213
2-amino-5-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 62510532
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773243
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 103853347

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide (CID 103853348) is 2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide is Cc1cccc(C(=O)Nc2ccc(OC(C)C)cc2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is YQMHHBJFFMBOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11(2)21-14-9-7-13(8-10-14)19-17(20)15-6-4-5-12(3)16(15)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of 2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide?
2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 103853348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).