2-(3-fluorophenoxy)-N-prop-2-ynylacetamide

C11H10FNO2 — CID 9008020

IUPAC2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cccc(F)c1
InChIInChI=1S/C11H10FNO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h1,3-5,7H,6,8H2,(H,13,14)
InChIKeyMZMMGNQGVCUEHK-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.95
Rot. Bonds4

About 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide

2-(3-fluorophenoxy)-N-prop-2-ynylacetamide (PubChem CID 9008020) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
PubChem CID9008020
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1cccc(F)c1
InChIInChI=1S/C11H10FNO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h1,3-5,7H,6,8H2,(H,13,14)
InChIKeyMZMMGNQGVCUEHK-UHFFFAOYSA-N
XLogP0.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 55188631
2-[3-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78933475
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(4-bromo-3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 65202721
[2-oxo-2-(prop-2-ynylamino)ethyl] 3-fluorobenzoate
CID 9198504
2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N-prop-2-ynylacetamide
CID 24705629
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
N-tert-butyl-2-[[2-(3-fluorophenoxy)acetyl]amino]acetamide
CID 41276805
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
CID 115594649
2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-prop-2-ynylacetamide
CID 100644076
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide (CID 9008020) is 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide is C#CCNC(=O)COc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide?
The InChIKey is MZMMGNQGVCUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-6-13-11(14)8-15-10-5-3-4-9(12)7-10/h1,3-5,7H,6,8H2,(H,13,14).
What are the key properties of 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide?
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide has a molecular weight of 207.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-prop-2-ynylacetamide is sourced from PubChem (CID 9008020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).