N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide

C20H22F4N4O2 — CID 4195596

IUPACN,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
SMILESCN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H22F4N4O2/c1-27(2)15-9-5-13(6-10-15)25-17(29)19(21,22)20(23,24)18(30)26-14-7-11-16(12-8-14)28(3)4/h5-12H,1-4H3,(H,25,29)(H,26,30)
InChIKeyFBNHUGISUVZNPM-UHFFFAOYSA-N
MW426.41 g/mol
LogP3.67
Rot. Bonds7

About N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide

N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide (PubChem CID 4195596) has the molecular formula C20H22F4N4O2 and a molecular weight of 426.41 g/mol. Its IUPAC name is N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
PubChem CID4195596
Molecular FormulaC20H22F4N4O2
Molecular Weight426.41 g/mol
Exact Mass426.17
IUPAC NameN,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
SMILESCN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H22F4N4O2/c1-27(2)15-9-5-13(6-10-15)25-17(29)19(21,22)20(23,24)18(30)26-14-7-11-16(12-8-14)28(3)4/h5-12H,1-4H3,(H,25,29)(H,26,30)
InChIKeyFBNHUGISUVZNPM-UHFFFAOYSA-N
XLogP3.67
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965752
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
N-[4-(dimethylamino)phenyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198132
N-[4-(dimethylamino)phenyl]-2-methylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 157344760
(E)-N-[4-(dimethylamino)phenyl]-2-methylbut-2-enamide
CID 134939833
3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920623
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N'-(2,6-diethylphenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108511474
N'-(3,5-dichlorophenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527910
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide?
The IUPAC name of N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide (CID 4195596) is N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide.
What is the SMILES notation for N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide?
The canonical SMILES for N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide is CN(C)c1ccc(NC(=O)C(F)(F)C(F)(F)C(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide?
The InChIKey is FBNHUGISUVZNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N4O2/c1-27(2)15-9-5-13(6-10-15)25-17(29)19(21,22)20(23,24)18(30)26-14-7-11-16(12-8-14)28(3)4/h5-12H,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide?
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide has a molecular weight of 426.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide is sourced from PubChem (CID 4195596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).