2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone

C18H18N2O — CID 2322489

IUPAC2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone
SMILESO=C(CNC1=NCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c21-17(13-20-18-7-4-12-19-18)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,19,20)
InChIKeyOOQOWYSBAUDOMH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.32
Rot. Bonds4

About 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone

2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone (PubChem CID 2322489) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone
PubChem CID2322489
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone
SMILESO=C(CNC1=NCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c21-17(13-20-18-7-4-12-19-18)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,19,20)
InChIKeyOOQOWYSBAUDOMH-UHFFFAOYSA-N
XLogP3.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone (CID 2322489) is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone is O=C(CNC1=NCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone?
The InChIKey is OOQOWYSBAUDOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c21-17(13-20-18-7-4-12-19-18)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2,(H,19,20).
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone?
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone has a molecular weight of 278.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 2322489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).