N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide

C17H14F3N3O — CID 109040794

IUPACN-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
SMILESN#Cc1ccc(NC(=O)CCNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)13-2-1-3-15(10-13)22-9-8-16(24)23-14-6-4-12(11-21)5-7-14/h1-7,10,22H,8-9H2,(H,23,24)
InChIKeyFROHFLMGXYKUFN-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.02
Rot. Bonds5

About N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide

N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide (PubChem CID 109040794) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
PubChem CID109040794
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC NameN-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
SMILESN#Cc1ccc(NC(=O)CCNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)13-2-1-3-15(10-13)22-9-8-16(24)23-14-6-4-12(11-21)5-7-14/h1-7,10,22H,8-9H2,(H,23,24)
InChIKeyFROHFLMGXYKUFN-UHFFFAOYSA-N
XLogP4.02
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]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

3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
CID 109040980
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
methyl 3-[[3-(4-cyanoanilino)-3-oxopropyl]amino]benzoate
CID 109041463
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
methyl 3-[[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
CID 109040726
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257
ethyl 4-[3-(3-cyanoanilino)propanoylamino]benzoate
CID 109042440
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide (CID 109040794) is N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide is N#Cc1ccc(NC(=O)CCNc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
The InChIKey is FROHFLMGXYKUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)13-2-1-3-15(10-13)22-9-8-16(24)23-14-6-4-12(11-21)5-7-14/h1-7,10,22H,8-9H2,(H,23,24).
What are the key properties of N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide has a molecular weight of 333.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109040794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).