N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide

C16H22FNO — CID 80718134

IUPACN-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCC(C)C2C)c1F
InChIInChI=1S/C16H22FNO/c1-10-6-5-9-14(12(10)3)18-16(19)13-8-4-7-11(2)15(13)17/h4,7-8,10,12,14H,5-6,9H2,1-3H3,(H,18,19)
InChIKeyFAPPFWLBLUFYOL-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.69
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide

N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide (PubChem CID 80718134) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
PubChem CID80718134
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCC(C)C2C)c1F
InChIInChI=1S/C16H22FNO/c1-10-6-5-9-14(12(10)3)18-16(19)13-8-4-7-11(2)15(13)17/h4,7-8,10,12,14H,5-6,9H2,1-3H3,(H,18,19)
InChIKeyFAPPFWLBLUFYOL-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

N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
N-(2,3-dimethylcyclohexyl)-4-hydroxy-2-methylbenzamide
CID 103863506
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
N-(2,3-dimethylcyclohexyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387958
N-(2,6-dimethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81480968
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
2-amino-3-fluoro-N-(2-methylcyclopentyl)benzamide
CID 63279485

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide (CID 80718134) is N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC2CCCC(C)C2C)c1F.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide?
The InChIKey is FAPPFWLBLUFYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-10-6-5-9-14(12(10)3)18-16(19)13-8-4-7-11(2)15(13)17/h4,7-8,10,12,14H,5-6,9H2,1-3H3,(H,18,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide?
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-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-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80718134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).