3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide

C15H22BrNO — CID 104852960

IUPAC3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCC(C)C(C)(C)C)c1
InChIInChI=1S/C15H22BrNO/c1-10-6-12(8-13(16)7-10)14(18)17-9-11(2)15(3,4)5/h6-8,11H,9H2,1-5H3,(H,17,18)
InChIKeyKRCNDEDDSCCPBC-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.17
Rot. Bonds3

About 3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide

3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 104852960) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID104852960
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCC(C)C(C)(C)C)c1
InChIInChI=1S/C15H22BrNO/c1-10-6-12(8-13(16)7-10)14(18)17-9-11(2)15(3,4)5/h6-8,11H,9H2,1-5H3,(H,17,18)
InChIKeyKRCNDEDDSCCPBC-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
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-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
CID 104852776
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460816
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide (CID 104852960) is 3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide is Cc1cc(Br)cc(C(=O)NCC(C)C(C)(C)C)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is KRCNDEDDSCCPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-6-12(8-13(16)7-10)14(18)17-9-11(2)15(3,4)5/h6-8,11H,9H2,1-5H3,(H,17,18).
What are the key properties of 3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide?
3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 312.25 g/mol, XLogP of 4.17, 3 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-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 104852960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).