2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide

C16H11F3N2O2 — CID 168521827

IUPAC2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)23-14-8-4-2-6-12(14)11-5-1-3-7-13(11)21-15(22)9-10-20/h1-8H,9H2,(H,21,22)
InChIKeySGMAHNWKKRVJHJ-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.10
Rot. Bonds4

About 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide

2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide (PubChem CID 168521827) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
PubChem CID168521827
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)23-14-8-4-2-6-12(14)11-5-1-3-7-13(11)21-15(22)9-10-20/h1-8H,9H2,(H,21,22)
InChIKeySGMAHNWKKRVJHJ-UHFFFAOYSA-N
XLogP4.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
2-cyano-N-[4-cyano-2-(trifluoromethoxy)phenyl]acetamide
CID 168520569
2-cyano-N-[2-fluoro-5-(trifluoromethoxy)phenyl]acetamide
CID 168520551
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 118822081
2-cyano-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]acetamide
CID 108923450
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 62832471
N-[5-bromo-4-fluoro-2-hydroxy-3-(trifluoromethoxy)phenyl]-2-cyanoacetamide
CID 168523660
6-oxo-6-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 43529543
2-cyano-N-[2-(1,3-oxazol-5-yl)phenyl]acetamide
CID 168520650
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide (CID 168521827) is 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide is N#CCC(=O)Nc1ccccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
The InChIKey is SGMAHNWKKRVJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)23-14-8-4-2-6-12(14)11-5-1-3-7-13(11)21-15(22)9-10-20/h1-8H,9H2,(H,21,22).
What are the key properties of 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide?
2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide has a molecular weight of 320.27 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide is sourced from PubChem (CID 168521827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).