3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide

C15H18FNO2 — CID 113395910

IUPAC3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cc(F)cc(C(=O)N(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H18FNO2/c1-10-7-11(9-12(16)8-10)15(19)17(2)13-3-5-14(18)6-4-13/h7-9,13H,3-6H2,1-2H3
InChIKeyWTALHZIPYVTNGX-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.72
Rot. Bonds2

About 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide

3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 113395910) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
PubChem CID113395910
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cc(F)cc(C(=O)N(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C15H18FNO2/c1-10-7-11(9-12(16)8-10)15(19)17(2)13-3-5-14(18)6-4-13/h7-9,13H,3-6H2,1-2H3
InChIKeyWTALHZIPYVTNGX-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120460
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 81471710
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79119648
N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide (CID 113395910) is 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide is Cc1cc(F)cc(C(=O)N(C)C2CCC(=O)CC2)c1.
What is the InChIKey of 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is WTALHZIPYVTNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10-7-11(9-12(16)8-10)15(19)17(2)13-3-5-14(18)6-4-13/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide?
3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 263.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 113395910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).