N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide

C16H9BrF2N2OS — CID 112760887

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(F)cc1F
InChIInChI=1S/C16H9BrF2N2OS/c17-10-3-1-2-9(6-10)14-8-23-16(20-14)21-15(22)12-5-4-11(18)7-13(12)19/h1-8H,(H,20,21,22)
InChIKeyAEJAQNVUDQCUKJ-UHFFFAOYSA-N
MW395.23 g/mol
LogP5.10
Rot. Bonds3

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide (PubChem CID 112760887) has the molecular formula C16H9BrF2N2OS and a molecular weight of 395.23 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
PubChem CID112760887
Molecular FormulaC16H9BrF2N2OS
Molecular Weight395.23 g/mol
Exact Mass393.96
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(F)cc1F
InChIInChI=1S/C16H9BrF2N2OS/c17-10-3-1-2-9(6-10)14-8-23-16(20-14)21-15(22)12-5-4-11(18)7-13(12)19/h1-8H,(H,20,21,22)
InChIKeyAEJAQNVUDQCUKJ-UHFFFAOYSA-N
XLogP5.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
2,4-difluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7915677
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 60565091
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657106
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide (CID 112760887) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide?
The InChIKey is AEJAQNVUDQCUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N2OS/c17-10-3-1-2-9(6-10)14-8-23-16(20-14)21-15(22)12-5-4-11(18)7-13(12)19/h1-8H,(H,20,21,22).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide has a molecular weight of 395.23 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 112760887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).