5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide

C15H19BrFNO — CID 63996958

IUPAC5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
SMILESCC1CCC(NC(=O)c2cc(Br)ccc2F)C(C)C1
InChIInChI=1S/C15H19BrFNO/c1-9-3-6-14(10(2)7-9)18-15(19)12-8-11(16)4-5-13(12)17/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyTYDDEPUOAQJPEL-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.14
Rot. Bonds2

About 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide

5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide (PubChem CID 63996958) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
PubChem CID63996958
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
SMILESCC1CCC(NC(=O)c2cc(Br)ccc2F)C(C)C1
InChIInChI=1S/C15H19BrFNO/c1-9-3-6-14(10(2)7-9)18-15(19)12-8-11(16)4-5-13(12)17/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyTYDDEPUOAQJPEL-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
CID 63998181
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893
4-chloro-N-(2,4-dimethylcyclohexyl)-2-hydroxybenzamide
CID 63999982
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
5-bromo-2-fluoro-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767098
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
4-[(5-bromo-2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223102
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
5-bromo-2-fluoro-N-(oxan-4-yl)benzamide
CID 43610272
N-(2,4-dimethylcyclohexyl)-2-methyl-5-sulfanylbenzamide
CID 107030364

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide (CID 63996958) is 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide is CC1CCC(NC(=O)c2cc(Br)ccc2F)C(C)C1.
What is the InChIKey of 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide?
The InChIKey is TYDDEPUOAQJPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-9-3-6-14(10(2)7-9)18-15(19)12-8-11(16)4-5-13(12)17/h4-5,8-10,14H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide?
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide has a molecular weight of 328.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide is sourced from PubChem (CID 63996958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).