5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide

C19H16FN3O3S — CID 141216526

IUPAC5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccc(OCc2cccc(F)c2)c(C(=O)Nc2nccs2)c1
InChIInChI=1S/C19H16FN3O3S/c1-12(24)22-15-5-6-17(26-11-13-3-2-4-14(20)9-13)16(10-15)18(25)23-19-21-7-8-27-19/h2-10H,11H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyFKGLNWQBWZFHGR-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.07
Rot. Bonds6

About 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide

5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 141216526) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID141216526
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccc(OCc2cccc(F)c2)c(C(=O)Nc2nccs2)c1
InChIInChI=1S/C19H16FN3O3S/c1-12(24)22-15-5-6-17(26-11-13-3-2-4-14(20)9-13)16(10-15)18(25)23-19-21-7-8-27-19/h2-10H,11H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyFKGLNWQBWZFHGR-UHFFFAOYSA-N
XLogP4.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide (CID 141216526) is 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide is CC(=O)Nc1ccc(OCc2cccc(F)c2)c(C(=O)Nc2nccs2)c1.
What is the InChIKey of 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is FKGLNWQBWZFHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-12(24)22-15-5-6-17(26-11-13-3-2-4-14(20)9-13)16(10-15)18(25)23-19-21-7-8-27-19/h2-10H,11H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide?
5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 385.42 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-[(3-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 141216526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).