N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide

C26H28FNO4 — CID 163735110

IUPACN-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide
SMILESCOc1cc(C)c(C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2F)cc1C
InChIInChI=1S/C26H28FNO4/c1-17-15-23(31-4)18(2)14-21(17)26(29)28-13-12-20-10-11-22(30-3)25(24(20)27)32-16-19-8-6-5-7-9-19/h5-11,14-15H,12-13,16H2,1-4H3,(H,28,29)
InChIKeyLELOGBFIACDJPY-UHFFFAOYSA-N
MW437.51 g/mol
LogP5.01
Rot. Bonds9

About N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide

N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide (PubChem CID 163735110) has the molecular formula C26H28FNO4 and a molecular weight of 437.51 g/mol. Its IUPAC name is N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide
PubChem CID163735110
Molecular FormulaC26H28FNO4
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC NameN-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide
SMILESCOc1cc(C)c(C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2F)cc1C
InChIInChI=1S/C26H28FNO4/c1-17-15-23(31-4)18(2)14-21(17)26(29)28-13-12-20-10-11-22(30-3)25(24(20)27)32-16-19-8-6-5-7-9-19/h5-11,14-15H,12-13,16H2,1-4H3,(H,28,29)
InChIKeyLELOGBFIACDJPY-UHFFFAOYSA-N
XLogP5.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.51
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide with MolForge

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Related Compounds

deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid
CID 163735109
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797
2-(2-methoxyphenyl)-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663908
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86906316
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55665778
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
CID 13341006
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide?
The IUPAC name of N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide (CID 163735110) is N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide?
The canonical SMILES for N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide is COc1cc(C)c(C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2F)cc1C.
What is the InChIKey of N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide?
The InChIKey is LELOGBFIACDJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO4/c1-17-15-23(31-4)18(2)14-21(17)26(29)28-13-12-20-10-11-22(30-3)25(24(20)27)32-16-19-8-6-5-7-9-19/h5-11,14-15H,12-13,16H2,1-4H3,(H,28,29).
What are the key properties of N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide?
N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide has a molecular weight of 437.51 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide is sourced from PubChem (CID 163735110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).