4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide

C13H14FNO2 — CID 60550880

IUPAC4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)CCCOc1ccccc1F
InChIInChI=1S/C13H14FNO2/c1-2-9-15-13(16)8-5-10-17-12-7-4-3-6-11(12)14/h1,3-4,6-7H,5,8-10H2,(H,15,16)
InChIKeyBBUVZWFWUYXLIP-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.73
Rot. Bonds6

About 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide

4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide (PubChem CID 60550880) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
PubChem CID60550880
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)CCCOc1ccccc1F
InChIInChI=1S/C13H14FNO2/c1-2-9-15-13(16)8-5-10-17-12-7-4-3-6-11(12)14/h1,3-4,6-7H,5,8-10H2,(H,15,16)
InChIKeyBBUVZWFWUYXLIP-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
4-bromo-N-[4-(2-fluorophenoxy)but-2-ynyl]butanamide
CID 90574526
N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide
CID 60549854
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 171130212
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide (CID 60550880) is 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide is C#CCNC(=O)CCCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide?
The InChIKey is BBUVZWFWUYXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-2-9-15-13(16)8-5-10-17-12-7-4-3-6-11(12)14/h1,3-4,6-7H,5,8-10H2,(H,15,16).
What are the key properties of 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide?
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide has a molecular weight of 235.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide is sourced from PubChem (CID 60550880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).