N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide

C17H17ClFNO2 — CID 162686382

IUPACN-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(F)cc2cc(Cl)c(OC3CC3)cc12
InChIInChI=1S/C17H17ClFNO2/c1-10(21)20-5-4-11-6-13(19)7-12-8-16(18)17(9-15(11)12)22-14-2-3-14/h6-9,14H,2-5H2,1H3,(H,20,21)
InChIKeyLEGTXXBYEURVOD-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.85
Rot. Bonds5

About N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide

N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide (PubChem CID 162686382) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide
PubChem CID162686382
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cc(F)cc2cc(Cl)c(OC3CC3)cc12
InChIInChI=1S/C17H17ClFNO2/c1-10(21)20-5-4-11-6-13(19)7-12-8-16(18)17(9-15(11)12)22-14-2-3-14/h6-9,14H,2-5H2,1H3,(H,20,21)
InChIKeyLEGTXXBYEURVOD-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide (CID 162686382) is N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide is CC(=O)NCCc1cc(F)cc2cc(Cl)c(OC3CC3)cc12.
What is the InChIKey of N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide?
The InChIKey is LEGTXXBYEURVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-10(21)20-5-4-11-6-13(19)7-12-8-16(18)17(9-15(11)12)22-14-2-3-14/h6-9,14H,2-5H2,1H3,(H,20,21).
What are the key properties of N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide?
N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide has a molecular weight of 321.78 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-7-cyclopropyloxy-3-fluoronaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 162686382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).