2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide

C22H17Cl2NO3 — CID 90578114

IUPAC2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C22H17Cl2NO3/c23-17-10-11-21(19(24)14-17)28-15-22(26)25-12-3-4-13-27-20-9-5-7-16-6-1-2-8-18(16)20/h1-2,5-11,14H,12-13,15H2,(H,25,26)
InChIKeyBKNVGHOHTGSHDI-UHFFFAOYSA-N
MW414.29 g/mol
LogP4.72
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide

2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide (PubChem CID 90578114) has the molecular formula C22H17Cl2NO3 and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
PubChem CID90578114
Molecular FormulaC22H17Cl2NO3
Molecular Weight414.29 g/mol
Exact Mass413.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C22H17Cl2NO3/c23-17-10-11-21(19(24)14-17)28-15-22(26)25-12-3-4-13-27-20-9-5-7-16-6-1-2-8-18(16)20/h1-2,5-11,14H,12-13,15H2,(H,25,26)
InChIKeyBKNVGHOHTGSHDI-UHFFFAOYSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
CID 90578056
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43908495
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide (CID 90578114) is 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCC#CCOc1cccc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The InChIKey is BKNVGHOHTGSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO3/c23-17-10-11-21(19(24)14-17)28-15-22(26)25-12-3-4-13-27-20-9-5-7-16-6-1-2-8-18(16)20/h1-2,5-11,14H,12-13,15H2,(H,25,26).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide has a molecular weight of 414.29 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide is sourced from PubChem (CID 90578114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).