2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile

C24H24FN3 — CID 102013870

IUPAC2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile
SMILESCN(C)c1ccc(C(C#N)(c2ccc(F)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H24FN3/c1-27(2)22-13-7-19(8-14-22)24(17-26,18-5-11-21(25)12-6-18)20-9-15-23(16-10-20)28(3)4/h5-16H,1-4H3
InChIKeySVWOFELZZADPDA-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.82
Rot. Bonds5

About 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile

2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile (PubChem CID 102013870) has the molecular formula C24H24FN3 and a molecular weight of 373.48 g/mol. Its IUPAC name is 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile
PubChem CID102013870
Molecular FormulaC24H24FN3
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC Name2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile
SMILESCN(C)c1ccc(C(C#N)(c2ccc(F)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H24FN3/c1-27(2)22-13-7-19(8-14-22)24(17-26,18-5-11-21(25)12-6-18)20-9-15-23(16-10-20)28(3)4/h5-16H,1-4H3
InChIKeySVWOFELZZADPDA-UHFFFAOYSA-N
XLogP4.82
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,2-bis[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)acetonitrile
CID 100984975
2,2-bis(3-fluorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 24799493
2-deuterio-4-fluoro-N,N-dimethylaniline
CID 146161763
2-[4-(dimethylamino)phenyl]-2-(4-hydroxyphenyl)propanedinitrile
CID 13056636
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
2-(4-fluorophenyl)-2-hydroxypropanenitrile
CID 57349674
2-[4-(dimethylamino)phenyl]-2-phenyl-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]acetonitrile
CID 15883913
2-[4-(dimethylamino)phenyl]-2-(ethylamino)propanenitrile
CID 60965770
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
2-[4-(4-fluorophenyl)phenyl]-2-methylpropanenitrile
CID 82084297
2-[4-(dimethylamino)phenyl]-2-piperazin-1-ylpropanenitrile
CID 54880641
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile?
The IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile (CID 102013870) is 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile.
What is the SMILES notation for 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile?
The canonical SMILES for 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile is CN(C)c1ccc(C(C#N)(c2ccc(F)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile?
The InChIKey is SVWOFELZZADPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3/c1-27(2)22-13-7-19(8-14-22)24(17-26,18-5-11-21(25)12-6-18)20-9-15-23(16-10-20)28(3)4/h5-16H,1-4H3.
What are the key properties of 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile?
2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile has a molecular weight of 373.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile is sourced from PubChem (CID 102013870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).