N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide

C16H22FNO — CID 113268698

IUPACN-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C16H22FNO/c1-10-4-7-15(12(3)8-10)18-16(19)14-6-5-13(17)9-11(14)2/h5-6,9-10,12,15H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyWMDOYVQCAUMCNY-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.69
Rot. Bonds2

About N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide

N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide (PubChem CID 113268698) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
PubChem CID113268698
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C16H22FNO/c1-10-4-7-15(12(3)8-10)18-16(19)14-6-5-13(17)9-11(14)2/h5-6,9-10,12,15H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyWMDOYVQCAUMCNY-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112702474
N-(2,4-dimethylcyclohexyl)-2-methyl-5-sulfanylbenzamide
CID 107030364
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
4-chloro-N-(2,4-dimethylcyclohexyl)-2-hydroxybenzamide
CID 63999982
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
CID 63998181
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide
CID 95401845
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
(4-fluoro-2-methylphenyl)-(4-methylcyclohexyl)methanone
CID 62790629

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide (CID 113268698) is N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NC1CCC(C)CC1C.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide?
The InChIKey is WMDOYVQCAUMCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-10-4-7-15(12(3)8-10)18-16(19)14-6-5-13(17)9-11(14)2/h5-6,9-10,12,15H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide?
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide has a molecular weight of 263.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 113268698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).