2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide

C16H17FN2O2 — CID 79098196

IUPAC2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1ccc(C(O)C2CC2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-13-3-5-14(6-4-13)18-15(20)10-19-8-7-12(9-19)16(21)11-1-2-11/h3-9,11,16,21H,1-2,10H2,(H,18,20)
InChIKeyKYHLBTMJJMNEIM-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.71
Rot. Bonds5

About 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide

2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 79098196) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID79098196
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1ccc(C(O)C2CC2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-13-3-5-14(6-4-13)18-15(20)10-19-8-7-12(9-19)16(21)11-1-2-11/h3-9,11,16,21H,1-2,10H2,(H,18,20)
InChIKeyKYHLBTMJJMNEIM-UHFFFAOYSA-N
XLogP2.71
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide (CID 79098196) is 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide is O=C(Cn1ccc(C(O)C2CC2)c1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is KYHLBTMJJMNEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-3-5-14(6-4-13)18-15(20)10-19-8-7-12(9-19)16(21)11-1-2-11/h3-9,11,16,21H,1-2,10H2,(H,18,20).
What are the key properties of 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 288.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 79098196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).