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N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C27H28FNO3 — CID 133199284

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C27H28FNO3/c1-19(32-26-15-10-22-4-2-3-5-23(22)16-26)27(30)29-17-20-8-13-25(14-9-20)31-18-21-6-11-24(28)12-7-21/h6-16,19H,2-5,17-18H2,1H3,(H,29,30)
InChIKeyCLJABEINGWPXGV-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.37
Rot. Bonds8

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 133199284) has the molecular formula C27H28FNO3 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID133199284
Molecular FormulaC27H28FNO3
Molecular Weight433.52 g/mol
Exact Mass433.21
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C27H28FNO3/c1-19(32-26-15-10-22-4-2-3-5-23(22)16-26)27(30)29-17-20-8-13-25(14-9-20)31-18-21-6-11-24(28)12-7-21/h6-16,19H,2-5,17-18H2,1H3,(H,29,30)
InChIKeyCLJABEINGWPXGV-UHFFFAOYSA-N
XLogP5.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 133199284) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is CC(Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is CLJABEINGWPXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FNO3/c1-19(32-26-15-10-22-4-2-3-5-23(22)16-26)27(30)29-17-20-8-13-25(14-9-20)31-18-21-6-11-24(28)12-7-21/h6-16,19H,2-5,17-18H2,1H3,(H,29,30).
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 433.52 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 133199284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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