2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide

C23H16F2N2OS — CID 122286179

IUPAC2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H16F2N2OS/c24-18-10-9-16(20(25)13-18)12-22(28)26-19-8-4-7-17(11-19)21-14-29-23(27-21)15-5-2-1-3-6-15/h1-11,13-14H,12H2,(H,26,28)
InChIKeyBOLODUYOSYNWDS-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.94
Rot. Bonds5

About 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 122286179) has the molecular formula C23H16F2N2OS and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID122286179
Molecular FormulaC23H16F2N2OS
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H16F2N2OS/c24-18-10-9-16(20(25)13-18)12-22(28)26-19-8-4-7-17(11-19)21-14-29-23(27-21)15-5-2-1-3-6-15/h1-11,13-14H,12H2,(H,26,28)
InChIKeyBOLODUYOSYNWDS-UHFFFAOYSA-N
XLogP5.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748690
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675
2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4267628
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 122286179) is 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide is O=C(Cc1ccc(F)cc1F)Nc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is BOLODUYOSYNWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2OS/c24-18-10-9-16(20(25)13-18)12-22(28)26-19-8-4-7-17(11-19)21-14-29-23(27-21)15-5-2-1-3-6-15/h1-11,13-14H,12H2,(H,26,28).
What are the key properties of 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 406.46 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 122286179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).