N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide

C19H17F2N5O — CID 171980012

IUPACN-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C(/Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O/c20-15-7-8-16(17(21)10-15)18(11-26-13-22-12-23-26)24-25-19(27)9-6-14-4-2-1-3-5-14/h1-5,7-8,10,12-13H,6,9,11H2,(H,25,27)/b24-18-
InChIKeyWGQQXEIZAACUQO-MOHJPFBDSA-N
MW369.38 g/mol
LogP2.71
Rot. Bonds7

About N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide

N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide (PubChem CID 171980012) has the molecular formula C19H17F2N5O and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide
PubChem CID171980012
Molecular FormulaC19H17F2N5O
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C(/Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C19H17F2N5O/c20-15-7-8-16(17(21)10-15)18(11-26-13-22-12-23-26)24-25-19(27)9-6-14-4-2-1-3-5-14/h1-5,7-8,10,12-13H,6,9,11H2,(H,25,27)/b24-18-
InChIKeyWGQQXEIZAACUQO-MOHJPFBDSA-N
XLogP2.71
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide (CID 171980012) is N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide is O=C(CCc1ccccc1)N/N=C(/Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide?
The InChIKey is WGQQXEIZAACUQO-MOHJPFBDSA-N. The full InChI is InChI=1S/C19H17F2N5O/c20-15-7-8-16(17(21)10-15)18(11-26-13-22-12-23-26)24-25-19(27)9-6-14-4-2-1-3-5-14/h1-5,7-8,10,12-13H,6,9,11H2,(H,25,27)/b24-18-.
What are the key properties of N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide?
N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide has a molecular weight of 369.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-3-phenylpropanamide is sourced from PubChem (CID 171980012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).