N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide

C17H13ClN2O2 — CID 1105286

IUPACN-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccnc1Cl
InChIInChI=1S/C17H13ClN2O2/c18-17-15(6-3-9-19-17)20-16(21)11-22-14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,20,21)
InChIKeyHXINCKKVYZZTLW-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.91
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide

N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 1105286) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide
PubChem CID1105286
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccnc1Cl
InChIInChI=1S/C17H13ClN2O2/c18-17-15(6-3-9-19-17)20-16(21)11-22-14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,20,21)
InChIKeyHXINCKKVYZZTLW-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

VU0405601
CID 1301094
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2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 831713
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CID 2225343
2-(4-chloro-2-methylphenoxy)-N-(pyridin-3-yl)acetamide
CID 3146340
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-3-yl-propionamide
CID 4206958
2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 4827681
2-(Naphthalen-2-yloxy)-N-(4-pyridin-4-ylmethyl-phenyl)-acetamide
CID 1075628
N-(4-Chlorophenyl)-2-[[4-quinolinyl]oxy]propanamide
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CID 626536

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide (CID 1105286) is N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is HXINCKKVYZZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-17-15(6-3-9-19-17)20-16(21)11-22-14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,20,21).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide?
N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 312.76 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 1105286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).