N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide

C15H20FNO — CID 64724976

IUPACN-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
SMILESCC1CC(C)CC(NC(=O)c2ccccc2F)C1
InChIInChI=1S/C15H20FNO/c1-10-7-11(2)9-12(8-10)17-15(18)13-5-3-4-6-14(13)16/h3-6,10-12H,7-9H2,1-2H3,(H,17,18)
InChIKeyKXXOVMHZOUGEQU-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.38
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide

N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide (PubChem CID 64724976) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
PubChem CID64724976
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
SMILESCC1CC(C)CC(NC(=O)c2ccccc2F)C1
InChIInChI=1S/C15H20FNO/c1-10-7-11(2)9-12(8-10)17-15(18)13-5-3-4-6-14(13)16/h3-6,10-12H,7-9H2,1-2H3,(H,17,18)
InChIKeyKXXOVMHZOUGEQU-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64722332
2-fluoro-N-(3-methylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 113252168
N-(3,5-dimethylcyclohexyl)-2-(propylamino)benzamide
CID 64732342
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
1-hydroxy-N-(3-methylcyclobutyl)naphthalene-2-carboxamide
CID 115671062
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide (CID 64724976) is N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide is CC1CC(C)CC(NC(=O)c2ccccc2F)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide?
The InChIKey is KXXOVMHZOUGEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10-7-11(2)9-12(8-10)17-15(18)13-5-3-4-6-14(13)16/h3-6,10-12H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide?
N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide has a molecular weight of 249.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide is sourced from PubChem (CID 64724976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).