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

C11H9F3N2O — CID 112556165

IUPACN-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C11H9F3N2O/c1-2-10(17)16-9-4-3-8(11(12,13)14)5-7(9)6-15/h3-5H,2H2,1H3,(H,16,17)
InChIKeyDZJAWFVMAZDPPE-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.93
Rot. Bonds2

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

N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide (PubChem CID 112556165) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
PubChem CID112556165
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC NameN-[2-cyano-4-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C11H9F3N2O/c1-2-10(17)16-9-4-3-8(11(12,13)14)5-7(9)6-15/h3-5H,2H2,1H3,(H,16,17)
InChIKeyDZJAWFVMAZDPPE-UHFFFAOYSA-N
XLogP2.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 112556074
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 112556172
N-[2-cyano-4-(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 115911191
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 115911205
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
(2S)-2-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]butanamide
CID 103930468
3-[2-cyano-4-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898911
2-[[2-cyano-4-(trifluoromethyl)phenyl]carbamoylamino]acetic acid
CID 115911428
N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide
CID 115911184
N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 112556193
2-[2-cyano-4-(trifluoromethyl)anilino]-N,N-diethylacetamide
CID 115693730

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide (CID 112556165) is N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide is CCC(=O)Nc1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DZJAWFVMAZDPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-2-10(17)16-9-4-3-8(11(12,13)14)5-7(9)6-15/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide?
N-[2-cyano-4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 242.20 g/mol, XLogP of 2.93, 2 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]propanamide is sourced from PubChem (CID 112556165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).