N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride

C14H20ClFN2O — CID 119476329

IUPACN-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
SMILESCc1ccc(F)c(C(=O)NC2CCC(N)CC2)c1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-9-2-7-13(15)12(8-9)14(18)17-11-5-3-10(16)4-6-11;/h2,7-8,10-11H,3-6,16H2,1H3,(H,17,18);1H
InChIKeyOEMFSFYHVQUTKO-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.56
Rot. Bonds2

About N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride

N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride (PubChem CID 119476329) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
PubChem CID119476329
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC NameN-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
SMILESCc1ccc(F)c(C(=O)NC2CCC(N)CC2)c1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-9-2-7-13(15)12(8-9)14(18)17-11-5-3-10(16)4-6-11;/h2,7-8,10-11H,3-6,16H2,1H3,(H,17,18);1H
InChIKeyOEMFSFYHVQUTKO-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
N-(1,1-dioxothian-4-yl)-2-fluoro-5-methylbenzamide
CID 62509384
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
2-fluoro-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966079
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride (CID 119476329) is N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride is Cc1ccc(F)c(C(=O)NC2CCC(N)CC2)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride?
The InChIKey is OEMFSFYHVQUTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-9-2-7-13(15)12(8-9)14(18)17-11-5-3-10(16)4-6-11;/h2,7-8,10-11H,3-6,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride?
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride is sourced from PubChem (CID 119476329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).