3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

C17H18F2N2O — CID 56818805

IUPAC3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1cc(F)ccc1F)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C17H18F2N2O/c18-13-6-7-14(19)12(11-13)5-8-17(22)21-10-2-4-16(21)15-3-1-9-20-15/h1,3,6-7,9,11,16,20H,2,4-5,8,10H2
InChIKeyDUCBPZDZNQPPEM-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.59
Rot. Bonds4

About 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 56818805) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID56818805
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1cc(F)ccc1F)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C17H18F2N2O/c18-13-6-7-14(19)12(11-13)5-8-17(22)21-10-2-4-16(21)15-3-1-9-20-15/h1,3,6-7,9,11,16,20H,2,4-5,8,10H2
InChIKeyDUCBPZDZNQPPEM-UHFFFAOYSA-N
XLogP3.59
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 56818805) is 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCc1cc(F)ccc1F)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is DUCBPZDZNQPPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c18-13-6-7-14(19)12(11-13)5-8-17(22)21-10-2-4-16(21)15-3-1-9-20-15/h1,3,6-7,9,11,16,20H,2,4-5,8,10H2.
What are the key properties of 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 304.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 56818805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).