1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

C19H19FN2O — CID 71677858

IUPAC1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(c2ccc(F)cc2)c2ccc[nH]2)c1C
InChIInChI=1S/C19H19FN2O/c1-11-17(13(3)23)12(2)22-19(11)18(16-5-4-10-21-16)14-6-8-15(20)9-7-14/h4-10,18,21-22H,1-3H3
InChIKeyLILJDRJLPAKNIN-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.48
Rot. Bonds4

About 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 71677858) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID71677858
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(c2ccc(F)cc2)c2ccc[nH]2)c1C
InChIInChI=1S/C19H19FN2O/c1-11-17(13(3)23)12(2)22-19(11)18(16-5-4-10-21-16)14-6-8-15(20)9-7-14/h4-10,18,21-22H,1-3H3
InChIKeyLILJDRJLPAKNIN-UHFFFAOYSA-N
XLogP4.48
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 71677858) is 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(c2ccc(F)cc2)c2ccc[nH]2)c1C.
What is the InChIKey of 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is LILJDRJLPAKNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-11-17(13(3)23)12(2)22-19(11)18(16-5-4-10-21-16)14-6-8-15(20)9-7-14/h4-10,18,21-22H,1-3H3.
What are the key properties of 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 310.37 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)-(1H-pyrrol-2-yl)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 71677858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).