N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane

C20H20F2N4O2 — CID 142563453

IUPACN-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane
SMILESCC.CC(F)(F)C(=O)Nc1ccc(C#N)cc1.N#Cc1ccc(NC=O)cc1
InChIInChI=1S/C10H8F2N2O.C8H6N2O.C2H6/c1-10(11,12)9(15)14-8-4-2-7(6-13)3-5-8;9-5-7-1-3-8(4-2-7)10-6-11;1-2/h2-5H,1H3,(H,14,15);1-4,6H,(H,10,11);1-2H3
InChIKeyGUBNCNYPTBXVHZ-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.30
Rot. Bonds4

About N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane

N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane (PubChem CID 142563453) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane
PubChem CID142563453
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC NameN-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane
SMILESCC.CC(F)(F)C(=O)Nc1ccc(C#N)cc1.N#Cc1ccc(NC=O)cc1
InChIInChI=1S/C10H8F2N2O.C8H6N2O.C2H6/c1-10(11,12)9(15)14-8-4-2-7(6-13)3-5-8;9-5-7-1-3-8(4-2-7)10-6-11;1-2/h2-5H,1H3,(H,14,15);1-4,6H,(H,10,11);1-2H3
InChIKeyGUBNCNYPTBXVHZ-UHFFFAOYSA-N
XLogP4.30
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
N-(4-cyanophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 3376836
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
8-(4-cyanoanilino)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-oxooctanoic acid
CID 123417730
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
N-(4-cyanophenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108969688
1-(4-cyanophenyl)-3-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)urea
CID 123852561
N'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
N-(4-cyanophenyl)-N'-(2,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970065
N-(3-chloro-2-methylphenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969063

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane?
The IUPAC name of N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane (CID 142563453) is N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane.
What is the SMILES notation for N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane?
The canonical SMILES for N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane is CC.CC(F)(F)C(=O)Nc1ccc(C#N)cc1.N#Cc1ccc(NC=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane?
The InChIKey is GUBNCNYPTBXVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O.C8H6N2O.C2H6/c1-10(11,12)9(15)14-8-4-2-7(6-13)3-5-8;9-5-7-1-3-8(4-2-7)10-6-11;1-2/h2-5H,1H3,(H,14,15);1-4,6H,(H,10,11);1-2H3.
What are the key properties of N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane?
N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane has a molecular weight of 386.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,2-difluoropropanamide;N-(4-cyanophenyl)formamide;ethane is sourced from PubChem (CID 142563453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).