N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide

C14H15F3N2O — CID 91752747

IUPACN-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)N(CCC#N)C(=O)C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c1-11(10-12-6-3-2-4-7-12)19(9-5-8-18)13(20)14(15,16)17/h2-4,6-7,11H,5,9-10H2,1H3
InChIKeyANTIWJZWNUHRQT-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.92
Rot. Bonds5

About N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide

N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 91752747) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
PubChem CID91752747
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)N(CCC#N)C(=O)C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c1-11(10-12-6-3-2-4-7-12)19(9-5-8-18)13(20)14(15,16)17/h2-4,6-7,11H,5,9-10H2,1H3
InChIKeyANTIWJZWNUHRQT-UHFFFAOYSA-N
XLogP2.92
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide (CID 91752747) is N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide is CC(Cc1ccccc1)N(CCC#N)C(=O)C(F)(F)F.
What is the InChIKey of N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is ANTIWJZWNUHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-11(10-12-6-3-2-4-7-12)19(9-5-8-18)13(20)14(15,16)17/h2-4,6-7,11H,5,9-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 284.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 91752747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).