N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

C13H13FN2O — CID 3244671

IUPACN-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)Nc1cccc(F)c1
InChIInChI=1S/C13H13FN2O/c14-11-4-3-5-12(10-11)15-13(17)6-9-16-7-1-2-8-16/h1-5,7-8,10H,6,9H2,(H,15,17)
InChIKeyRETCOAKVWDFNOI-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.66
Rot. Bonds4

About N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 3244671) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
PubChem CID3244671
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)Nc1cccc(F)c1
InChIInChI=1S/C13H13FN2O/c14-11-4-3-5-12(10-11)15-13(17)6-9-16-7-1-2-8-16/h1-5,7-8,10H,6,9H2,(H,15,17)
InChIKeyRETCOAKVWDFNOI-UHFFFAOYSA-N
XLogP2.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (CID 3244671) is N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is O=C(CCn1cccc1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is RETCOAKVWDFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-11-4-3-5-12(10-11)15-13(17)6-9-16-7-1-2-8-16/h1-5,7-8,10H,6,9H2,(H,15,17).
What are the key properties of N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 232.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3244671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).