2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide

C26H28FNO4 — CID 100779818

IUPAC2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12
InChIInChI=1S/C26H28FNO4/c1-17(2)14-30-23-13-12-22(18-8-4-5-9-19(18)23)28-25(29)26(3)15-31-24(32-16-26)20-10-6-7-11-21(20)27/h4-13,17,24H,14-16H2,1-3H3,(H,28,29)
InChIKeyLNOKWDAOWIFCFJ-UHFFFAOYSA-N
MW437.51 g/mol
LogP5.70
Rot. Bonds6

About 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide

2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide (PubChem CID 100779818) has the molecular formula C26H28FNO4 and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide
PubChem CID100779818
Molecular FormulaC26H28FNO4
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12
InChIInChI=1S/C26H28FNO4/c1-17(2)14-30-23-13-12-22(18-8-4-5-9-19(18)23)28-25(29)26(3)15-31-24(32-16-26)20-10-6-7-11-21(20)27/h4-13,17,24H,14-16H2,1-3H3,(H,28,29)
InChIKeyLNOKWDAOWIFCFJ-UHFFFAOYSA-N
XLogP5.70
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-oxo-1,3-dioxane-5-carboxamide
CID 100778906
5-methyl-2-phenyl-N-(4-prop-2-enoxynaphthalen-1-yl)-1,3-dioxane-5-carboxamide
CID 100779046
1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
CID 100782430
5-methyl-N-(4-prop-2-enoxynaphthalen-1-yl)-2-thiophen-2-yl-1,3-dioxane-5-carboxamide
CID 100780007
N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
ethyl 2-[4-[[2-(2-fluorophenyl)-5-methyl-1,3-dioxane-5-carbonyl]amino]phenoxy]acetate
CID 100779783
5-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide
CID 100779879
trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100762995
2-methoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]propanamide
CID 100752413
1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100747706
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide
CID 100782956
5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide
CID 100784108

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide (CID 100779818) is 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide is CC(C)COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide?
The InChIKey is LNOKWDAOWIFCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO4/c1-17(2)14-30-23-13-12-22(18-8-4-5-9-19(18)23)28-25(29)26(3)15-31-24(32-16-26)20-10-6-7-11-21(20)27/h4-13,17,24H,14-16H2,1-3H3,(H,28,29).
What are the key properties of 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide?
2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100779818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).