N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide

C14H7ClFIN2OS — CID 102979090

IUPACN-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide
SMILESO=C(Nc1c(Cl)ccc2scnc12)c1ccc(F)cc1I
InChIInChI=1S/C14H7ClFIN2OS/c15-9-3-4-11-13(18-6-21-11)12(9)19-14(20)8-2-1-7(16)5-10(8)17/h1-6H,(H,19,20)
InChIKeyFNHOGMBCAVEMLO-UHFFFAOYSA-N
MW432.65 g/mol
LogP4.95
Rot. Bonds2

About N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide

N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide (PubChem CID 102979090) has the molecular formula C14H7ClFIN2OS and a molecular weight of 432.65 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide
PubChem CID102979090
Molecular FormulaC14H7ClFIN2OS
Molecular Weight432.65 g/mol
Exact Mass431.90
IUPAC NameN-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide
SMILESO=C(Nc1c(Cl)ccc2scnc12)c1ccc(F)cc1I
InChIInChI=1S/C14H7ClFIN2OS/c15-9-3-4-11-13(18-6-21-11)12(9)19-14(20)8-2-1-7(16)5-10(8)17/h1-6H,(H,19,20)
InChIKeyFNHOGMBCAVEMLO-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.65
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
CID 107793809
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
CID 81481599
2-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 102979089
3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
CID 66483517
3-bromo-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107999354
3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 43699875
3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107951874
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55114948
tert-butyl N-(5-chloro-1,3-benzothiazol-4-yl)carbamate
CID 65142628
N-(3,5-dichloro-2-fluorophenyl)-1,3-benzothiazole-4-carboxamide
CID 154852347
4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78874285
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
CID 115299138

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide (CID 102979090) is N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide is O=C(Nc1c(Cl)ccc2scnc12)c1ccc(F)cc1I.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide?
The InChIKey is FNHOGMBCAVEMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFIN2OS/c15-9-3-4-11-13(18-6-21-11)12(9)19-14(20)8-2-1-7(16)5-10(8)17/h1-6H,(H,19,20).
What are the key properties of N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide?
N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide has a molecular weight of 432.65 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 102979090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).