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

C17H18BrNO2 — CID 17340213

IUPAC3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-11(2)21-15-8-6-14(7-9-15)19-17(20)13-5-4-12(3)16(18)10-13/h4-11H,1-3H3,(H,19,20)
InChIKeySMYMHFNBCGSMAH-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.80
Rot. Bonds4

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

3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 17340213) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID17340213
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1Br
InChIInChI=1S/C17H18BrNO2/c1-11(2)21-15-8-6-14(7-9-15)19-17(20)13-5-4-12(3)16(18)10-13/h4-11H,1-3H3,(H,19,20)
InChIKeySMYMHFNBCGSMAH-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-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide
CID 5119029
N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
CID 7778576
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
3-bromo-4-methyl-N-(4-propylphenyl)benzamide
CID 81472098
N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
CID 17355171
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
CID 17355174
2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
CID 114370108
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide (CID 17340213) is 3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is SMYMHFNBCGSMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-11(2)21-15-8-6-14(7-9-15)19-17(20)13-5-4-12(3)16(18)10-13/h4-11H,1-3H3,(H,19,20).
What are the key properties of 3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide?
3-bromo-4-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 3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 17340213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).