2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide

C25H20ClFN2O2S — CID 2554513

IUPAC2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H20ClFN2O2S/c1-25(2,31-21-14-10-18(26)11-15-21)23(30)29(20-6-4-3-5-7-20)24-28-22(16-32-24)17-8-12-19(27)13-9-17/h3-16H,1-2H3
InChIKeyBXZMFAMVOBYJPD-UHFFFAOYSA-N
MW466.97 g/mol
LogP7.12
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide

2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide (PubChem CID 2554513) has the molecular formula C25H20ClFN2O2S and a molecular weight of 466.97 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide
PubChem CID2554513
Molecular FormulaC25H20ClFN2O2S
Molecular Weight466.97 g/mol
Exact Mass466.09
IUPAC Name2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H20ClFN2O2S/c1-25(2,31-21-14-10-18(26)11-15-21)23(30)29(20-6-4-3-5-7-20)24-28-22(16-32-24)17-8-12-19(27)13-9-17/h3-16H,1-2H3
InChIKeyBXZMFAMVOBYJPD-UHFFFAOYSA-N
XLogP7.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide (CID 2554513) is 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide?
The InChIKey is BXZMFAMVOBYJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O2S/c1-25(2,31-21-14-10-18(26)11-15-21)23(30)29(20-6-4-3-5-7-20)24-28-22(16-32-24)17-8-12-19(27)13-9-17/h3-16H,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide?
2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide has a molecular weight of 466.97 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 2554513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).