N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide

C16H16FN3O — CID 155809311

IUPACN-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(-c2ccc(C#N)n2C)ccc1F
InChIInChI=1S/C16H16FN3O/c1-10(2)16(21)19-14-8-11(4-6-13(14)17)15-7-5-12(9-18)20(15)3/h4-8,10H,1-3H3,(H,19,21)
InChIKeyGSPNFZLHELCYKB-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.30
Rot. Bonds3

About N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide

N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide (PubChem CID 155809311) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide
PubChem CID155809311
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(-c2ccc(C#N)n2C)ccc1F
InChIInChI=1S/C16H16FN3O/c1-10(2)16(21)19-14-8-11(4-6-13(14)17)15-7-5-12(9-18)20(15)3/h4-8,10H,1-3H3,(H,19,21)
InChIKeyGSPNFZLHELCYKB-UHFFFAOYSA-N
XLogP3.30
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The IUPAC name of N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide (CID 155809311) is N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(-c2ccc(C#N)n2C)ccc1F.
What is the InChIKey of N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide?
The InChIKey is GSPNFZLHELCYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10(2)16(21)19-14-8-11(4-6-13(14)17)15-7-5-12(9-18)20(15)3/h4-8,10H,1-3H3,(H,19,21).
What are the key properties of N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide?
N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide has a molecular weight of 285.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide is sourced from PubChem (CID 155809311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).