N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide

C21H24FNO4 — CID 112503018

IUPACN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(F)c3)CCOCC2)cc1OC
InChIInChI=1S/C21H24FNO4/c1-25-18-7-6-16(13-19(18)26-2)21(8-10-27-11-9-21)14-23-20(24)15-4-3-5-17(22)12-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,24)
InChIKeyFUICBDMNJGRBND-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.32
Rot. Bonds6

About N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide (PubChem CID 112503018) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
PubChem CID112503018
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(F)c3)CCOCC2)cc1OC
InChIInChI=1S/C21H24FNO4/c1-25-18-7-6-16(13-19(18)26-2)21(8-10-27-11-9-21)14-23-20(24)15-4-3-5-17(22)12-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,24)
InChIKeyFUICBDMNJGRBND-UHFFFAOYSA-N
XLogP3.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 112503037
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 112503024
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
CID 112503044
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide
CID 112503009
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111213398

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide (CID 112503018) is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide is COc1ccc(C2(CNC(=O)c3cccc(F)c3)CCOCC2)cc1OC.
What is the InChIKey of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide?
The InChIKey is FUICBDMNJGRBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-25-18-7-6-16(13-19(18)26-2)21(8-10-27-11-9-21)14-23-20(24)15-4-3-5-17(22)12-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,24).
What are the key properties of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide?
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide has a molecular weight of 373.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 112503018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).