2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide

C22H18ClNO3 — CID 90578113

IUPAC2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C22H18ClNO3/c23-18-10-12-19(13-11-18)27-16-22(25)24-14-3-4-15-26-21-9-5-7-17-6-1-2-8-20(17)21/h1-2,5-13H,14-16H2,(H,24,25)
InChIKeyBGCJUEIPQBBGOY-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.07
Rot. Bonds6

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

2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide (PubChem CID 90578113) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
PubChem CID90578113
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C22H18ClNO3/c23-18-10-12-19(13-11-18)27-16-22(25)24-14-3-4-15-26-21-9-5-7-17-6-1-2-8-20(17)21/h1-2,5-13H,14-16H2,(H,24,25)
InChIKeyBGCJUEIPQBBGOY-UHFFFAOYSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.07
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-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578114
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
2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575591
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 71802909
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578185
N'-(2-naphthalen-1-yloxyacetyl)-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502710
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide (CID 90578113) is 2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide is O=C(COc1ccc(Cl)cc1)NCC#CCOc1cccc2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
The InChIKey is BGCJUEIPQBBGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-18-10-12-19(13-11-18)27-16-22(25)24-14-3-4-15-26-21-9-5-7-17-6-1-2-8-20(17)21/h1-2,5-13H,14-16H2,(H,24,25).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide?
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide has a molecular weight of 379.84 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide is sourced from PubChem (CID 90578113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).