2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide

C12H10F3N3O2 — CID 108923450

IUPAC2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)11(20)17-7-8-3-1-2-4-9(8)18-10(19)5-6-16/h1-4H,5,7H2,(H,17,20)(H,18,19)
InChIKeyKTYWMQDMXUHZPE-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.72
Rot. Bonds4

About 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide

2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide (PubChem CID 108923450) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
PubChem CID108923450
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1CNC(=O)C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)11(20)17-7-8-3-1-2-4-9(8)18-10(19)5-6-16/h1-4H,5,7H2,(H,17,20)(H,18,19)
InChIKeyKTYWMQDMXUHZPE-UHFFFAOYSA-N
XLogP1.72
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934271
(E)-N-[[2-[(2-cyanoacetyl)amino]phenyl]methyl]-4,4-dimethylpent-2-enamide
CID 108923814
N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923717
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
4-phenoxy-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108934115
2-cyano-N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923722
tert-butyl N-[3-oxo-3-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]propyl]carbamate
CID 108920770
2-bromo-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934015
2-cyano-N-[2-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923654
2-cyano-N-[2-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108923822
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide (CID 108923450) is 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide is N#CCC(=O)Nc1ccccc1CNC(=O)C(F)(F)F.
What is the InChIKey of 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide?
The InChIKey is KTYWMQDMXUHZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)11(20)17-7-8-3-1-2-4-9(8)18-10(19)5-6-16/h1-4H,5,7H2,(H,17,20)(H,18,19).
What are the key properties of 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide?
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide has a molecular weight of 285.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108923450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).