N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide

C19H19FN2O — CID 110615036

IUPACN-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide
SMILESCC(C)(C#N)NC(=O)C(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O/c1-19(2,13-21)22-18(23)17(12-14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17H,12H2,1-2H3,(H,22,23)
InChIKeyOPMIBHNPJOGODE-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.57
Rot. Bonds5

About N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide

N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide (PubChem CID 110615036) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide
PubChem CID110615036
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide
SMILESCC(C)(C#N)NC(=O)C(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O/c1-19(2,13-21)22-18(23)17(12-14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17H,12H2,1-2H3,(H,22,23)
InChIKeyOPMIBHNPJOGODE-UHFFFAOYSA-N
XLogP3.57
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide (CID 110615036) is N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide is CC(C)(C#N)NC(=O)C(Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide?
The InChIKey is OPMIBHNPJOGODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-19(2,13-21)22-18(23)17(12-14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17H,12H2,1-2H3,(H,22,23).
What are the key properties of N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide?
N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide has a molecular weight of 310.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-(4-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 110615036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).