3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide

C19H22BrNO2 — CID 17351586

IUPAC3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1
InChIInChI=1S/C19H22BrNO2/c1-12(2)11-23-18-6-5-15(10-17(18)20)19(22)21-16-8-13(3)7-14(4)9-16/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyMUTFSSPNRKXWEB-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.35
Rot. Bonds5

About 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide

3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide (PubChem CID 17351586) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
PubChem CID17351586
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1
InChIInChI=1S/C19H22BrNO2/c1-12(2)11-23-18-6-5-15(10-17(18)20)19(22)21-16-8-13(3)7-14(4)9-16/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyMUTFSSPNRKXWEB-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(2-methylpropoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17351631
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
3-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 17199563
3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 17351668
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17204631
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17356436
3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 26159082
3-bromo-N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17351718
3-bromo-N-[4-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067240
N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 18226846
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide (CID 17351586) is 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide is Cc1cc(C)cc(NC(=O)c2ccc(OCC(C)C)c(Br)c2)c1.
What is the InChIKey of 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is MUTFSSPNRKXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-12(2)11-23-18-6-5-15(10-17(18)20)19(22)21-16-8-13(3)7-14(4)9-16/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide?
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 376.29 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17351586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).