4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide

C20H16ClF3N4O3 — CID 55648390

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H16ClF3N4O3/c21-12-6-4-11(5-7-12)20-27-17(31-28-20)3-1-2-15(29)25-10-16(30)26-14-9-8-13(22)18(23)19(14)24/h4-9H,1-3,10H2,(H,25,29)(H,26,30)
InChIKeyIOVKCABRJGZHQI-UHFFFAOYSA-N
MW452.82 g/mol
LogP3.88
Rot. Bonds8

About 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide (PubChem CID 55648390) has the molecular formula C20H16ClF3N4O3 and a molecular weight of 452.82 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
PubChem CID55648390
Molecular FormulaC20H16ClF3N4O3
Molecular Weight452.82 g/mol
Exact Mass452.09
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
SMILESO=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H16ClF3N4O3/c21-12-6-4-11(5-7-12)20-27-17(31-28-20)3-1-2-15(29)25-10-16(30)26-14-9-8-13(22)18(23)19(14)24/h4-9H,1-3,10H2,(H,25,29)(H,26,30)
InChIKeyIOVKCABRJGZHQI-UHFFFAOYSA-N
XLogP3.88
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide 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-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27813187
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxypropyl)butanamide
CID 78866247
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
7-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 46190755
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodophenyl)butanamide
CID 39892599
N-(3-aminobutyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 119495720
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)butanamide
CID 38739993
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
2-chloro-N-[2-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]ethyl]benzamide
CID 46441965
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)butanamide
CID 78874390
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluoro-3-nitrophenyl)butanamide
CID 38701413

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide (CID 55648390) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide is O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide?
The InChIKey is IOVKCABRJGZHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3/c21-12-6-4-11(5-7-12)20-27-17(31-28-20)3-1-2-15(29)25-10-16(30)26-14-9-8-13(22)18(23)19(14)24/h4-9H,1-3,10H2,(H,25,29)(H,26,30).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide has a molecular weight of 452.82 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide is sourced from PubChem (CID 55648390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).