2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide

C15H19Br2NO — CID 107952478

IUPAC2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C15H19Br2NO/c1-15(2)7-5-11(6-8-15)18-14(19)12-4-3-10(16)9-13(12)17/h3-4,9,11H,5-8H2,1-2H3,(H,18,19)
InChIKeyISTCXWXVJLJSFZ-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.91
Rot. Bonds2

About 2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide

2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide (PubChem CID 107952478) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is 2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
PubChem CID107952478
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC Name2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCC(NC(=O)c2ccc(Br)cc2Br)CC1
InChIInChI=1S/C15H19Br2NO/c1-15(2)7-5-11(6-8-15)18-14(19)12-4-3-10(16)9-13(12)17/h3-4,9,11H,5-8H2,1-2H3,(H,18,19)
InChIKeyISTCXWXVJLJSFZ-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
2,4-dibromo-N-(1-oxothian-4-yl)benzamide
CID 104580877
2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
CID 103882627
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951697
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
CID 103882624
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
2,4-dibromo-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103883101
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide (CID 107952478) is 2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide is CC1(C)CCC(NC(=O)c2ccc(Br)cc2Br)CC1.
What is the InChIKey of 2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide?
The InChIKey is ISTCXWXVJLJSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c1-15(2)7-5-11(6-8-15)18-14(19)12-4-3-10(16)9-13(12)17/h3-4,9,11H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide?
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide has a molecular weight of 389.13 g/mol, XLogP of 4.91, 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-(4,4-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 107952478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).