N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide

C17H20FNO2 — CID 57381769

IUPACN-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCCCF)cc12
InChIInChI=1S/C17H20FNO2/c1-13(20)19-10-8-15-5-2-4-14-6-7-16(12-17(14)15)21-11-3-9-18/h2,4-7,12H,3,8-11H2,1H3,(H,19,20)
InChIKeyDABHQFVMUYBEKB-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.26
Rot. Bonds7

About N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide

N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide (PubChem CID 57381769) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide
PubChem CID57381769
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cccc2ccc(OCCCF)cc12
InChIInChI=1S/C17H20FNO2/c1-13(20)19-10-8-15-5-2-4-14-6-7-16(12-17(14)15)21-11-3-9-18/h2,4-7,12H,3,8-11H2,1H3,(H,19,20)
InChIKeyDABHQFVMUYBEKB-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide (CID 57381769) is N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide is CC(=O)NCCc1cccc2ccc(OCCCF)cc12.
What is the InChIKey of N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide?
The InChIKey is DABHQFVMUYBEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-13(20)19-10-8-15-5-2-4-14-6-7-16(12-17(14)15)21-11-3-9-18/h2,4-7,12H,3,8-11H2,1H3,(H,19,20).
What are the key properties of N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide?
N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide has a molecular weight of 289.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(3-fluoropropoxy)naphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 57381769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).