N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide

C16H9ClF2N2OS — CID 47072656

IUPACN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccccc1F
InChIInChI=1S/C16H9ClF2N2OS/c17-11-7-9(5-6-13(11)19)14-8-23-16(20-14)21-15(22)10-3-1-2-4-12(10)18/h1-8H,(H,20,21,22)
InChIKeyIWSKSPFBXQZIKK-UHFFFAOYSA-N
MW350.78 g/mol
LogP4.99
Rot. Bonds3

About N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 47072656) has the molecular formula C16H9ClF2N2OS and a molecular weight of 350.78 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID47072656
Molecular FormulaC16H9ClF2N2OS
Molecular Weight350.78 g/mol
Exact Mass350.01
IUPAC NameN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccccc1F
InChIInChI=1S/C16H9ClF2N2OS/c17-11-7-9(5-6-13(11)19)14-8-23-16(20-14)21-15(22)10-3-1-2-4-12(10)18/h1-8H,(H,20,21,22)
InChIKeyIWSKSPFBXQZIKK-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4089252
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 8504539
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 4200583
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 9166885
2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 18277166
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 47072656) is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide is O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccccc1F.
What is the InChIKey of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is IWSKSPFBXQZIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2OS/c17-11-7-9(5-6-13(11)19)14-8-23-16(20-14)21-15(22)10-3-1-2-4-12(10)18/h1-8H,(H,20,21,22).
What are the key properties of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 350.78 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 47072656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).