N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide

C26H31F2NO2 — CID 171801963

IUPACN-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide
SMILESC=Cc1cc(C(=O)NCC2CCCCC2)c(F)c(F)c1OCc1ccc(CCC)cc1
InChIInChI=1S/C26H31F2NO2/c1-3-8-18-11-13-20(14-12-18)17-31-25-21(4-2)15-22(23(27)24(25)28)26(30)29-16-19-9-6-5-7-10-19/h4,11-15,19H,2-3,5-10,16-17H2,1H3,(H,29,30)
InChIKeyAAMUATLZEKPICO-UHFFFAOYSA-N
MW427.54 g/mol
LogP6.45
Rot. Bonds9

About N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide

N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide (PubChem CID 171801963) has the molecular formula C26H31F2NO2 and a molecular weight of 427.54 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide
PubChem CID171801963
Molecular FormulaC26H31F2NO2
Molecular Weight427.54 g/mol
Exact Mass427.23
IUPAC NameN-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide
SMILESC=Cc1cc(C(=O)NCC2CCCCC2)c(F)c(F)c1OCc1ccc(CCC)cc1
InChIInChI=1S/C26H31F2NO2/c1-3-8-18-11-13-20(14-12-18)17-31-25-21(4-2)15-22(23(27)24(25)28)26(30)29-16-19-9-6-5-7-10-19/h4,11-15,19H,2-3,5-10,16-17H2,1H3,(H,29,30)
InChIKeyAAMUATLZEKPICO-UHFFFAOYSA-N
XLogP6.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide
CID 171801997
methyl 4-[[[2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]benzoyl]amino]methyl]cyclohexane-1-carboxylate
CID 171767714
N-(cyclohexylmethyl)-2,3,5-trifluoro-4-prop-2-ynoxybenzamide
CID 59226988
N-(cyclohexylmethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105384839
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[[4-[6-(4-methylpiperazin-1-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
CID 171469303
N-(cyclohexylmethyl)-2,3-difluoro-5-methyl-4-[(4-methylphenyl)methoxy]aniline
CID 174301538
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide?
The IUPAC name of N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide (CID 171801963) is N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide is C=Cc1cc(C(=O)NCC2CCCCC2)c(F)c(F)c1OCc1ccc(CCC)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide?
The InChIKey is AAMUATLZEKPICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2NO2/c1-3-8-18-11-13-20(14-12-18)17-31-25-21(4-2)15-22(23(27)24(25)28)26(30)29-16-19-9-6-5-7-10-19/h4,11-15,19H,2-3,5-10,16-17H2,1H3,(H,29,30).
What are the key properties of N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide?
N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide has a molecular weight of 427.54 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-ethenyl-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzamide is sourced from PubChem (CID 171801963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).