N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide

C18H14ClNO2 — CID 162657039

IUPACN-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C18H14ClNO2/c1-12(21)20-14-9-10-18(16(19)11-14)22-17-8-4-6-13-5-2-3-7-15(13)17/h2-11H,1H3,(H,20,21)
InChIKeyWQLXPOZIXPXNJJ-UHFFFAOYSA-N
MW311.77 g/mol
LogP5.24
Rot. Bonds3

About N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide

N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide (PubChem CID 162657039) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide
PubChem CID162657039
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC NameN-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C18H14ClNO2/c1-12(21)20-14-9-10-18(16(19)11-14)22-17-8-4-6-13-5-2-3-7-15(13)17/h2-11H,1H3,(H,20,21)
InChIKeyWQLXPOZIXPXNJJ-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.77
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide?
The IUPAC name of N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide (CID 162657039) is N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide is CC(=O)Nc1ccc(Oc2cccc3ccccc23)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide?
The InChIKey is WQLXPOZIXPXNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-12(21)20-14-9-10-18(16(19)11-14)22-17-8-4-6-13-5-2-3-7-15(13)17/h2-11H,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide?
N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide has a molecular weight of 311.77 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-naphthalen-1-yloxyphenyl)acetamide is sourced from PubChem (CID 162657039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).