N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide

C19H16F3N3O2 — CID 3416423

IUPACN'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(C(F)(F)F)c1)NN=CC=Cc1ccccc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)15-9-4-10-16(12-15)24-17(26)13-18(27)25-23-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyPDWVOIYGXFHGDC-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.85
Rot. Bonds6

About N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide

N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 3416423) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID3416423
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(C(F)(F)F)c1)NN=CC=Cc1ccccc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)15-9-4-10-16(12-15)24-17(26)13-18(27)25-23-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyPDWVOIYGXFHGDC-UHFFFAOYSA-N
XLogP3.85
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide 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

N'-[(4-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 1101273
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N'-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 135765580
N'-(anthracen-9-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 5029379
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
N'-[(4-propoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 5111974
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3653365
N'-[(2-propan-2-yloxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3938383
N'-[(3-methoxy-4-methylphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3886822
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N'-[(4-bromo-3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3975181
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664

Frequently Asked Questions

What is the IUPAC name of N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide (CID 3416423) is N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide is O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)NN=CC=Cc1ccccc1.
What is the InChIKey of N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is PDWVOIYGXFHGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)15-9-4-10-16(12-15)24-17(26)13-18(27)25-23-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide?
N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 375.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cinnamylideneamino)-N-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 3416423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).