3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C16H24BrNO — CID 102906385

IUPAC3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C16H24BrNO/c1-10(2)15(11(3)4)9-18-16(19)13-6-12(5)7-14(17)8-13/h6-8,10-11,15H,9H2,1-5H3,(H,18,19)
InChIKeyWEJXIOGURZZOFC-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.42
Rot. Bonds5

About 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide

3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102906385) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102906385
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C16H24BrNO/c1-10(2)15(11(3)4)9-18-16(19)13-6-12(5)7-14(17)8-13/h6-8,10-11,15H,9H2,1-5H3,(H,18,19)
InChIKeyWEJXIOGURZZOFC-UHFFFAOYSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 104852960
3-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoic acid
CID 104850752
N-(2-aminobutyl)-3-bromo-5-methylbenzamide
CID 115999631
3-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 104850828
3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
CID 104852776
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102906385) is 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide is Cc1cc(Br)cc(C(=O)NCC(C(C)C)C(C)C)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is WEJXIOGURZZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-10(2)15(11(3)4)9-18-16(19)13-6-12(5)7-14(17)8-13/h6-8,10-11,15H,9H2,1-5H3,(H,18,19).
What are the key properties of 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 326.28 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102906385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).