N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide

C18H18FNO2 — CID 139760288

IUPACN-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc3c(c2)CCCC3)c(F)c1
InChIInChI=1S/C18H18FNO2/c1-12(21)20-15-7-9-18(17(19)11-15)22-16-8-6-13-4-2-3-5-14(13)10-16/h6-11H,2-5H2,1H3,(H,20,21)
InChIKeyNQDMVMISGYMDDK-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.46
Rot. Bonds3

About N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide

N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide (PubChem CID 139760288) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide
PubChem CID139760288
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc3c(c2)CCCC3)c(F)c1
InChIInChI=1S/C18H18FNO2/c1-12(21)20-15-7-9-18(17(19)11-15)22-16-8-6-13-4-2-3-5-14(13)10-16/h6-11H,2-5H2,1H3,(H,20,21)
InChIKeyNQDMVMISGYMDDK-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide (CID 139760288) is N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc3c(c2)CCCC3)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide?
The InChIKey is NQDMVMISGYMDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12(21)20-15-7-9-18(17(19)11-15)22-16-8-6-13-4-2-3-5-14(13)10-16/h6-11H,2-5H2,1H3,(H,20,21).
What are the key properties of N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide?
N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide has a molecular weight of 299.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide is sourced from PubChem (CID 139760288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).