N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide

C17H12F2N2O2S — CID 744046

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)C1=NCCS1
InChIInChI=1S/C17H12F2N2O2S/c18-13-5-1-11(2-6-13)15(22)21(17-20-9-10-24-17)16(23)12-3-7-14(19)8-4-12/h1-8H,9-10H2
InChIKeyFWLZDGNLRFPULP-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.35
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide (PubChem CID 744046) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
PubChem CID744046
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)C1=NCCS1
InChIInChI=1S/C17H12F2N2O2S/c18-13-5-1-11(2-6-13)15(22)21(17-20-9-10-24-17)16(23)12-3-7-14(19)8-4-12/h1-8H,9-10H2
InChIKeyFWLZDGNLRFPULP-UHFFFAOYSA-N
XLogP3.35
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide (CID 744046) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide is O=C(c1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)C1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide?
The InChIKey is FWLZDGNLRFPULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c18-13-5-1-11(2-6-13)15(22)21(17-20-9-10-24-17)16(23)12-3-7-14(19)8-4-12/h1-8H,9-10H2.
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide has a molecular weight of 346.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide is sourced from PubChem (CID 744046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).