N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide

C18H14ClNO2 — CID 162647046

IUPACN-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C18H14ClNO2/c1-12(21)20-13-6-8-14(9-7-13)22-18-11-10-17(19)15-4-2-3-5-16(15)18/h2-11H,1H3,(H,20,21)
InChIKeyNGPQXUQHQLUWLR-UHFFFAOYSA-N
MW311.77 g/mol
LogP5.24
Rot. Bonds3

About N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide

N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide (PubChem CID 162647046) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide
PubChem CID162647046
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC NameN-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C18H14ClNO2/c1-12(21)20-13-6-8-14(9-7-13)22-18-11-10-17(19)15-4-2-3-5-16(15)18/h2-11H,1H3,(H,20,21)
InChIKeyNGPQXUQHQLUWLR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide?
The IUPAC name of N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide (CID 162647046) is N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1.
What is the InChIKey of N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide?
The InChIKey is NGPQXUQHQLUWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-12(21)20-13-6-8-14(9-7-13)22-18-11-10-17(19)15-4-2-3-5-16(15)18/h2-11H,1H3,(H,20,21).
What are the key properties of N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide?
N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]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-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide is sourced from PubChem (CID 162647046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).