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

C21H15F2N3OS — CID 50837076

IUPACN-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
SMILESO=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H15F2N3OS/c22-16-9-8-15(11-17(16)23)24-20(27)12-26-10-4-7-19(26)21-25-18(13-28-21)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,24,27)
InChIKeyVZUAEFRHMNLEKU-UHFFFAOYSA-N
MW395.43 g/mol
LogP5.20
Rot. Bonds5

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

N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 50837076) has the molecular formula C21H15F2N3OS and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID50837076
Molecular FormulaC21H15F2N3OS
Molecular Weight395.43 g/mol
Exact Mass395.09
IUPAC NameN-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
SMILESO=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H15F2N3OS/c22-16-9-8-15(11-17(16)23)24-20(27)12-26-10-4-7-19(26)21-25-18(13-28-21)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,24,27)
InChIKeyVZUAEFRHMNLEKU-UHFFFAOYSA-N
XLogP5.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50837010
N-benzyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 50837140
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 50836356
N-(2-methoxy-5-methylphenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide
CID 53037423
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-cyclopropylacetamide
CID 53037477
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50836635
N-cyclohexyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 50836966
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
N,N-diethyl-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetamide
CID 53037462
N-(3,4-difluorophenyl)-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177910

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide (CID 50837076) is N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide is O=C(Cn1cccc1-c1nc(-c2ccccc2)cs1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is VZUAEFRHMNLEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3OS/c22-16-9-8-15(11-17(16)23)24-20(27)12-26-10-4-7-19(26)21-25-18(13-28-21)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide?
N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 50837076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).