2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide

C16H11F3N2O2 — CID 168520366

IUPAC2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)11-2-1-3-14(10-11)23-13-6-4-12(5-7-13)21-15(22)8-9-20/h1-7,10H,8H2,(H,21,22)
InChIKeyPSKJBRZEKLXMBE-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.35
Rot. Bonds4

About 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide

2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide (PubChem CID 168520366) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
PubChem CID168520366
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)11-2-1-3-14(10-11)23-13-6-4-12(5-7-13)21-15(22)8-9-20/h1-7,10H,8H2,(H,21,22)
InChIKeyPSKJBRZEKLXMBE-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(4-naphthalen-2-yloxyphenyl)acetamide
CID 168522770
2-cyano-N-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 168521702
4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride
CID 120592787
3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide
CID 3688327
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(3-cyanophenoxy)phenyl]urea
CID 91668273
2-cyano-N-[4-[4-[(2-isocyanoacetyl)amino]phenoxy]phenyl]acetamide
CID 123897788
2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
CID 126785808
2-fluoro-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]propan-1-one
CID 154354047
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide (CID 168520366) is 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide is N#CCC(=O)Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
The InChIKey is PSKJBRZEKLXMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)11-2-1-3-14(10-11)23-13-6-4-12(5-7-13)21-15(22)8-9-20/h1-7,10H,8H2,(H,21,22).
What are the key properties of 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide?
2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide has a molecular weight of 320.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide is sourced from PubChem (CID 168520366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).