2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

C18H26FNO — CID 103966079

IUPAC2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCc1ccc(F)c(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1
InChIInChI=1S/C18H26FNO/c1-12-6-7-15(19)14(8-12)16(21)20-13-9-17(2,3)11-18(4,5)10-13/h6-8,13H,9-11H2,1-5H3,(H,20,21)
InChIKeyAFAZEKVPNVAFLM-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.47
Rot. Bonds2

About 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide

2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (PubChem CID 103966079) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
PubChem CID103966079
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
SMILESCc1ccc(F)c(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1
InChIInChI=1S/C18H26FNO/c1-12-6-7-15(19)14(8-12)16(21)20-13-9-17(2,3)11-18(4,5)10-13/h6-8,13H,9-11H2,1-5H3,(H,20,21)
InChIKeyAFAZEKVPNVAFLM-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329
N-(1,1-dioxothian-4-yl)-2-fluoro-5-methylbenzamide
CID 62509384
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
4-fluoro-3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 107034256
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
CID 61217679
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide (CID 103966079) is 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is Cc1ccc(F)c(C(=O)NC2CC(C)(C)CC(C)(C)C2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
The InChIKey is AFAZEKVPNVAFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-12-6-7-15(19)14(8-12)16(21)20-13-9-17(2,3)11-18(4,5)10-13/h6-8,13H,9-11H2,1-5H3,(H,20,21).
What are the key properties of 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide?
2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide has a molecular weight of 291.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide is sourced from PubChem (CID 103966079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).