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

C10H7F3N2O — CID 67798826

IUPACN-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-8(10(11,12)13)4-7(9)5-14/h2-4H,1H3,(H,15,16)
InChIKeyVSGXNYZOQBWTIT-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.54
Rot. Bonds1

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

N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 67798826) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
PubChem CID67798826
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC NameN-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-8(10(11,12)13)4-7(9)5-14/h2-4H,1H3,(H,15,16)
InChIKeyVSGXNYZOQBWTIT-UHFFFAOYSA-N
XLogP2.54
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
CID 112556165
2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
3-[2-cyano-4-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898911
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 112556172
(2S)-2-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]butanamide
CID 103930468
2-[2-cyano-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 61264554
2-[[2-cyano-4-(trifluoromethyl)phenyl]carbamoylamino]acetic acid
CID 115911428
N-[2-cyano-4-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 115911191
N-[2-cyano-4-(trifluoromethyl)phenyl]-2-methyloxolane-2-carboxamide
CID 115911267
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 115911205
N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 115911287
N-[2-cyano-4-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103117861

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide (CID 67798826) is N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VSGXNYZOQBWTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-8(10(11,12)13)4-7(9)5-14/h2-4H,1H3,(H,15,16).
What are the key properties of N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide?
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 228.17 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67798826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).