2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide

C14H20FN2O2+ — CID 4920014

IUPAC2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC[NH+]1CCCC1
InChIInChI=1S/C14H19FN2O2/c15-12-3-5-13(6-4-12)19-11-14(18)16-7-10-17-8-1-2-9-17/h3-6H,1-2,7-11H2,(H,16,18)/p+1
InChIKeyKSFJOZCBDWYCNP-UHFFFAOYSA-O
MW267.32 g/mol
LogP-0.00
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide

2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide (PubChem CID 4920014) has the molecular formula C14H20FN2O2+ and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
PubChem CID4920014
Molecular FormulaC14H20FN2O2+
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC[NH+]1CCCC1
InChIInChI=1S/C14H19FN2O2/c15-12-3-5-13(6-4-12)19-11-14(18)16-7-10-17-8-1-2-9-17/h3-6H,1-2,7-11H2,(H,16,18)/p+1
InChIKeyKSFJOZCBDWYCNP-UHFFFAOYSA-O
XLogP-0.00
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4694933
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
CID 7746055
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446273
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7371488
2-(4-fluorophenoxy)-N-[2-(oxolan-2-yl)ethyl]acetamide
CID 110731293
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium
CID 2248273
N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
CID 115594704
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide (CID 4920014) is 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide is O=C(COc1ccc(F)cc1)NCC[NH+]1CCCC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
The InChIKey is KSFJOZCBDWYCNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19FN2O2/c15-12-3-5-13(6-4-12)19-11-14(18)16-7-10-17-8-1-2-9-17/h3-6H,1-2,7-11H2,(H,16,18)/p+1.
What are the key properties of 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide?
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide has a molecular weight of 267.32 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide is sourced from PubChem (CID 4920014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).