2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide

C13H13FN2O2 — CID 110488062

IUPAC2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc[nH]1
InChIInChI=1S/C13H13FN2O2/c14-11-5-1-2-6-12(11)18-9-13(17)16-8-10-4-3-7-15-10/h1-7,15H,8-9H2,(H,16,17)
InChIKeyOBCMPDXJSUIYCP-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.85
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide

2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide (PubChem CID 110488062) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide
PubChem CID110488062
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc[nH]1
InChIInChI=1S/C13H13FN2O2/c14-11-5-1-2-6-12(11)18-9-13(17)16-8-10-4-3-7-15-10/h1-7,15H,8-9H2,(H,16,17)
InChIKeyOBCMPDXJSUIYCP-UHFFFAOYSA-N
XLogP1.85
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
CID 7815449
2-(2-fluorophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979329
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
CID 110785509
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
2-(2-fluorophenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]acetamide
CID 110783085
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 110443440
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 8947910

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide (CID 110488062) is 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide is O=C(COc1ccccc1F)NCc1ccc[nH]1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide?
The InChIKey is OBCMPDXJSUIYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-11-5-1-2-6-12(11)18-9-13(17)16-8-10-4-3-7-15-10/h1-7,15H,8-9H2,(H,16,17).
What are the key properties of 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide?
2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide has a molecular weight of 248.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(1H-pyrrol-2-ylmethyl)acetamide is sourced from PubChem (CID 110488062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).