N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide

C19H18FN3O2 — CID 108962648

IUPACN-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccc(F)cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H18FN3O2/c1-19(2,17(24)22-12-13-7-9-15(20)10-8-13)18(25)23-16-6-4-3-5-14(16)11-21/h3-10H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBVJHXJXTMDXXLZ-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.98
Rot. Bonds5

About N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide

N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108962648) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108962648
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCc1ccc(F)cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H18FN3O2/c1-19(2,17(24)22-12-13-7-9-15(20)10-8-13)18(25)23-16-6-4-3-5-14(16)11-21/h3-10H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBVJHXJXTMDXXLZ-UHFFFAOYSA-N
XLogP2.98
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108962615
2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 108997912
ethyl 2-[[3-[(4-fluorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108962647
N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959798
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
N-(2-cyanophenyl)-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328716
N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
CID 155930374

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide (CID 108962648) is N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCc1ccc(F)cc1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is BVJHXJXTMDXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-19(2,17(24)22-12-13-7-9-15(20)10-8-13)18(25)23-16-6-4-3-5-14(16)11-21/h3-10H,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide?
N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 339.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).