4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide

C16H11ClFN3O2S — CID 142789587

IUPAC4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
SMILESNC(=O)c1ccc(Cl)c(-c2nc(=O)n(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C16H11ClFN3O2S/c17-13-6-3-10(14(19)22)7-12(13)15-20-16(23)21(24-15)8-9-1-4-11(18)5-2-9/h1-7H,8H2,(H2,19,22)
InChIKeyXBHOOCFNCMOMFC-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.91
Rot. Bonds4

About 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide

4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 142789587) has the molecular formula C16H11ClFN3O2S and a molecular weight of 363.80 g/mol. Its IUPAC name is 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID142789587
Molecular FormulaC16H11ClFN3O2S
Molecular Weight363.80 g/mol
Exact Mass363.02
IUPAC Name4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
SMILESNC(=O)c1ccc(Cl)c(-c2nc(=O)n(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C16H11ClFN3O2S/c17-13-6-3-10(14(19)22)7-12(13)15-20-16(23)21(24-15)8-9-1-4-11(18)5-2-9/h1-7H,8H2,(H2,19,22)
InChIKeyXBHOOCFNCMOMFC-UHFFFAOYSA-N
XLogP2.91
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide 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 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide (CID 142789587) is 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide is NC(=O)c1ccc(Cl)c(-c2nc(=O)n(Cc3ccc(F)cc3)s2)c1.
What is the InChIKey of 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is XBHOOCFNCMOMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2S/c17-13-6-3-10(14(19)22)7-12(13)15-20-16(23)21(24-15)8-9-1-4-11(18)5-2-9/h1-7H,8H2,(H2,19,22).
What are the key properties of 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide?
4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 363.80 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 142789587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).