N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide

C14H14F3N3O — CID 51862267

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
SMILESC[C@@](C#N)(NC(=O)CNc1ccc(F)c(F)c1F)C1CC1
InChIInChI=1S/C14H14F3N3O/c1-14(7-18,8-2-3-8)20-11(21)6-19-10-5-4-9(15)12(16)13(10)17/h4-5,8,19H,2-3,6H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyBEJUUGIMSINLSP-AWEZNQCLSA-N
MW297.28 g/mol
LogP2.32
Rot. Bonds5

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide (PubChem CID 51862267) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
PubChem CID51862267
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
SMILESC[C@@](C#N)(NC(=O)CNc1ccc(F)c(F)c1F)C1CC1
InChIInChI=1S/C14H14F3N3O/c1-14(7-18,8-2-3-8)20-11(21)6-19-10-5-4-9(15)12(16)13(10)17/h4-5,8,19H,2-3,6H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyBEJUUGIMSINLSP-AWEZNQCLSA-N
XLogP2.32
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide (CID 51862267) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide is C[C@@](C#N)(NC(=O)CNc1ccc(F)c(F)c1F)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide?
The InChIKey is BEJUUGIMSINLSP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-14(7-18,8-2-3-8)20-11(21)6-19-10-5-4-9(15)12(16)13(10)17/h4-5,8,19H,2-3,6H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide has a molecular weight of 297.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide is sourced from PubChem (CID 51862267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).