[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone

C22H19F2NO — CID 58067996

IUPAC[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(F)ccc(-c3cccc(N(C)C)c3)c2F)cc1
InChIInChI=1S/C22H19F2NO/c1-14-7-9-15(10-8-14)22(26)20-19(23)12-11-18(21(20)24)16-5-4-6-17(13-16)25(2)3/h4-13H,1-3H3
InChIKeyCTNPSGRLERXPNL-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.24
Rot. Bonds4

About [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone

[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone (PubChem CID 58067996) has the molecular formula C22H19F2NO and a molecular weight of 351.40 g/mol. Its IUPAC name is [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone
PubChem CID58067996
Molecular FormulaC22H19F2NO
Molecular Weight351.40 g/mol
Exact Mass351.14
IUPAC Name[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2c(F)ccc(-c3cccc(N(C)C)c3)c2F)cc1
InChIInChI=1S/C22H19F2NO/c1-14-7-9-15(10-8-14)22(26)20-19(23)12-11-18(21(20)24)16-5-4-6-17(13-16)25(2)3/h4-13H,1-3H3
InChIKeyCTNPSGRLERXPNL-UHFFFAOYSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone?
The IUPAC name of [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone (CID 58067996) is [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2c(F)ccc(-c3cccc(N(C)C)c3)c2F)cc1.
What is the InChIKey of [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone?
The InChIKey is CTNPSGRLERXPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO/c1-14-7-9-15(10-8-14)22(26)20-19(23)12-11-18(21(20)24)16-5-4-6-17(13-16)25(2)3/h4-13H,1-3H3.
What are the key properties of [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone?
[3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone has a molecular weight of 351.40 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)phenyl]-2,6-difluorophenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 58067996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).