2,4-dibromo-N-(1-methylcyclobutyl)benzamide

C12H13Br2NO — CID 103883316

IUPAC2,4-dibromo-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2ccc(Br)cc2Br)CCC1
InChIInChI=1S/C12H13Br2NO/c1-12(5-2-6-12)15-11(16)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeySPLVBYUZDAULOP-UHFFFAOYSA-N
MW347.05 g/mol
LogP3.88
Rot. Bonds2

About 2,4-dibromo-N-(1-methylcyclobutyl)benzamide

2,4-dibromo-N-(1-methylcyclobutyl)benzamide (PubChem CID 103883316) has the molecular formula C12H13Br2NO and a molecular weight of 347.05 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-methylcyclobutyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-methylcyclobutyl)benzamide
PubChem CID103883316
Molecular FormulaC12H13Br2NO
Molecular Weight347.05 g/mol
Exact Mass344.94
IUPAC Name2,4-dibromo-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2ccc(Br)cc2Br)CCC1
InChIInChI=1S/C12H13Br2NO/c1-12(5-2-6-12)15-11(16)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeySPLVBYUZDAULOP-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(1-methylcyclopentyl)-2-sulfanylbenzamide
CID 107023881
2,4-dibromo-N-[1-(bromomethyl)cyclobutyl]benzamide
CID 107941451
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
2-bromo-4-chloro-N-(1-methylcyclopropyl)benzamide
CID 103765307
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101
2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
CID 80987670
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
CID 113322134
4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
CID 114696498
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
CID 80972166
2,4-dibromo-N-methylbenzamide
CID 54214948

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-methylcyclobutyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1-methylcyclobutyl)benzamide (CID 103883316) is 2,4-dibromo-N-(1-methylcyclobutyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1-methylcyclobutyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1-methylcyclobutyl)benzamide is CC1(NC(=O)c2ccc(Br)cc2Br)CCC1.
What is the InChIKey of 2,4-dibromo-N-(1-methylcyclobutyl)benzamide?
The InChIKey is SPLVBYUZDAULOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO/c1-12(5-2-6-12)15-11(16)9-4-3-8(13)7-10(9)14/h3-4,7H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 2,4-dibromo-N-(1-methylcyclobutyl)benzamide?
2,4-dibromo-N-(1-methylcyclobutyl)benzamide has a molecular weight of 347.05 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-methylcyclobutyl)benzamide is sourced from PubChem (CID 103883316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).