N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C11H6F6N2O — CID 103309828

IUPACN-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#Cc1cccc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)8(11(15,16)17)9(20)19-7-3-1-2-6(4-7)5-18/h1-4,8H,(H,19,20)
InChIKeyWREJZMCXPARXEM-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.24
Rot. Bonds2

About N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309828) has the molecular formula C11H6F6N2O and a molecular weight of 296.17 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309828
Molecular FormulaC11H6F6N2O
Molecular Weight296.17 g/mol
Exact Mass296.04
IUPAC NameN-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#Cc1cccc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H6F6N2O/c12-10(13,14)8(11(15,16)17)9(20)19-7-3-1-2-6(4-7)5-18/h1-4,8H,(H,19,20)
InChIKeyWREJZMCXPARXEM-UHFFFAOYSA-N
XLogP3.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22690609
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CID 11101346
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
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N-(3-cyanophenyl)-2-ethoxypropanamide
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[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7838840
N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
CID 107766914
S-methyl N-(3-cyanophenyl)carbamothioate
CID 134122988
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661272
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CID 7815212

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309828) is N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is N#Cc1cccc(NC(=O)C(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is WREJZMCXPARXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2O/c12-10(13,14)8(11(15,16)17)9(20)19-7-3-1-2-6(4-7)5-18/h1-4,8H,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 296.17 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).