4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide

C19H16BrN3O3S — CID 17361566

IUPAC4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H16BrN3O3S/c1-12(26-16-5-3-2-4-15(16)20)17(24)22-14-8-6-13(7-9-14)18(25)23-19-21-10-11-27-19/h2-12H,1H3,(H,22,24)(H,21,23,25)
InChIKeyXFDYYIVJJDWDGD-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.56
Rot. Bonds6

About 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide

4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17361566) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID17361566
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H16BrN3O3S/c1-12(26-16-5-3-2-4-15(16)20)17(24)22-14-8-6-13(7-9-14)18(25)23-19-21-10-11-27-19/h2-12H,1H3,(H,22,24)(H,21,23,25)
InChIKeyXFDYYIVJJDWDGD-UHFFFAOYSA-N
XLogP4.56
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide (CID 17361566) is 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide is CC(Oc1ccccc1Br)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is XFDYYIVJJDWDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-12(26-16-5-3-2-4-15(16)20)17(24)22-14-8-6-13(7-9-14)18(25)23-19-21-10-11-27-19/h2-12H,1H3,(H,22,24)(H,21,23,25).
What are the key properties of 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide?
4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 446.33 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).