[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone

C22H26FNO2 — CID 18982031

IUPAC[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone
SMILESCCCN(CCC)C1COc2cccc(C(=O)c3ccccc3F)c2C1
InChIInChI=1S/C22H26FNO2/c1-3-12-24(13-4-2)16-14-19-17(9-7-11-21(19)26-15-16)22(25)18-8-5-6-10-20(18)23/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyREKJOXDCRJVBCN-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.48
Rot. Bonds7

About [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone

[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone (PubChem CID 18982031) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone
PubChem CID18982031
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone
SMILESCCCN(CCC)C1COc2cccc(C(=O)c3ccccc3F)c2C1
InChIInChI=1S/C22H26FNO2/c1-3-12-24(13-4-2)16-14-19-17(9-7-11-21(19)26-15-16)22(25)18-8-5-6-10-20(18)23/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyREKJOXDCRJVBCN-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone (CID 18982031) is [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone is CCCN(CCC)C1COc2cccc(C(=O)c3ccccc3F)c2C1.
What is the InChIKey of [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone?
The InChIKey is REKJOXDCRJVBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-3-12-24(13-4-2)16-14-19-17(9-7-11-21(19)26-15-16)22(25)18-8-5-6-10-20(18)23/h5-11,16H,3-4,12-15H2,1-2H3.
What are the key properties of [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone?
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone has a molecular weight of 355.45 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 18982031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).