N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide

C15H19ClFNO — CID 113272633

IUPACN-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2CCCCC2Cl)c1
InChIInChI=1S/C15H19ClFNO/c1-10-6-7-14(17)12(8-10)15(19)18-9-11-4-2-3-5-13(11)16/h6-8,11,13H,2-5,9H2,1H3,(H,18,19)
InChIKeyIMSZDFLRSRKLOX-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.66
Rot. Bonds3

About N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide

N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide (PubChem CID 113272633) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
PubChem CID113272633
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2CCCCC2Cl)c1
InChIInChI=1S/C15H19ClFNO/c1-10-6-7-14(17)12(8-10)15(19)18-9-11-4-2-3-5-13(11)16/h6-8,11,13H,2-5,9H2,1H3,(H,18,19)
InChIKeyIMSZDFLRSRKLOX-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
N-[(2-chlorocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113272641
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoro-5-methylbenzamide
CID 81038448
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
2-fluoro-5-methyl-N-[(6-methylpiperidin-2-yl)methyl]benzamide
CID 62516361
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
5-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114317524
N-[(2-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 114301566

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide (CID 113272633) is N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCC2CCCCC2Cl)c1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide?
The InChIKey is IMSZDFLRSRKLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-10-6-7-14(17)12(8-10)15(19)18-9-11-4-2-3-5-13(11)16/h6-8,11,13H,2-5,9H2,1H3,(H,18,19).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide?
N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide has a molecular weight of 283.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 113272633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).