4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride

C18H26ClFN2O2 — CID 68772250

IUPAC4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride
SMILESC/C(CN)=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1.Cl
InChIInChI=1S/C18H25FN2O2.ClH/c1-13(11-20)17(19)12-23-16-9-7-14(8-10-16)18(22)21-15-5-3-2-4-6-15;/h7-10,15H,2-6,11-12,20H2,1H3,(H,21,22);1H/b17-13-;
InChIKeyNVSPRTIXTYVMCZ-VSORCOHTSA-N
MW356.87 g/mol
LogP3.75
Rot. Bonds6

About 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride

4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride (PubChem CID 68772250) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride
PubChem CID68772250
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC Name4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride
SMILESC/C(CN)=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1.Cl
InChIInChI=1S/C18H25FN2O2.ClH/c1-13(11-20)17(19)12-23-16-9-7-14(8-10-16)18(22)21-15-5-3-2-4-6-15;/h7-10,15H,2-6,11-12,20H2,1H3,(H,21,22);1H/b17-13-;
InChIKeyNVSPRTIXTYVMCZ-VSORCOHTSA-N
XLogP3.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
N-cyclohexyl-4-propoxybenzamide
CID 4938429
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
N-cyclopentyl-4-[2-(ethylcarbamoylamino)-2-oxoethoxy]benzamide
CID 51100623
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-cyclopentyl-4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzamide
CID 95310406
N-cyclohexyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 28587696
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride?
The IUPAC name of 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride (CID 68772250) is 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride?
The canonical SMILES for 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride is C/C(CN)=C(/F)COc1ccc(C(=O)NC2CCCCC2)cc1.Cl.
What is the InChIKey of 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride?
The InChIKey is NVSPRTIXTYVMCZ-VSORCOHTSA-N. The full InChI is InChI=1S/C18H25FN2O2.ClH/c1-13(11-20)17(19)12-23-16-9-7-14(8-10-16)18(22)21-15-5-3-2-4-6-15;/h7-10,15H,2-6,11-12,20H2,1H3,(H,21,22);1H/b17-13-;.
What are the key properties of 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride?
4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride has a molecular weight of 356.87 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride is sourced from PubChem (CID 68772250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).