2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide

C19H18FNO4 — CID 71802909

IUPAC2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
SMILESCOc1ccccc1OCC#CCNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-23-17-6-2-3-7-18(17)24-13-5-4-12-21-19(22)14-25-16-10-8-15(20)9-11-16/h2-3,6-11H,12-14H2,1H3,(H,21,22)
InChIKeyXCTBJGUMYRKYKC-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.41
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide

2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide (PubChem CID 71802909) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
PubChem CID71802909
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
SMILESCOc1ccccc1OCC#CCNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-23-17-6-2-3-7-18(17)24-13-5-4-12-21-19(22)14-25-16-10-8-15(20)9-11-16/h2-3,6-11H,12-14H2,1H3,(H,21,22)
InChIKeyXCTBJGUMYRKYKC-UHFFFAOYSA-N
XLogP2.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575591
2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
CID 90579328
2-(4-fluorophenoxy)-N-[3-(2-fluorophenyl)prop-2-ynyl]acetamide
CID 90547905
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3,3-dimethylbutanamide
CID 90575523
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113
2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide
CID 90580499
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
N-[4-(2-methoxyphenoxy)but-2-ynyl]pent-4-enamide
CID 71802876
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide (CID 71802909) is 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide is COc1ccccc1OCC#CCNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
The InChIKey is XCTBJGUMYRKYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-23-17-6-2-3-7-18(17)24-13-5-4-12-21-19(22)14-25-16-10-8-15(20)9-11-16/h2-3,6-11H,12-14H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide?
2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide has a molecular weight of 343.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide is sourced from PubChem (CID 71802909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).