4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide

C14H9ClFN3OS — CID 107793809

IUPAC4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
SMILESNc1ccc(C(=O)Nc2c(Cl)ccc3scnc23)c(F)c1
InChIInChI=1S/C14H9ClFN3OS/c15-9-3-4-11-13(18-6-21-11)12(9)19-14(20)8-2-1-7(17)5-10(8)16/h1-6H,17H2,(H,19,20)
InChIKeyKONJQMOVFFOLHA-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.92
Rot. Bonds2

About 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide

4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide (PubChem CID 107793809) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
PubChem CID107793809
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC Name4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
SMILESNc1ccc(C(=O)Nc2c(Cl)ccc3scnc23)c(F)c1
InChIInChI=1S/C14H9ClFN3OS/c15-9-3-4-11-13(18-6-21-11)12(9)19-14(20)8-2-1-7(17)5-10(8)16/h1-6H,17H2,(H,19,20)
InChIKeyKONJQMOVFFOLHA-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 102979089
N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide
CID 102979090
3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 43699875
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
CID 81481599
3-bromo-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107999354
3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
CID 66483517
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55114948
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluorobenzamide
CID 65490063
3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107951874
4-amino-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 107793937
4-amino-N-(2-bromo-4,6-difluorophenyl)-2-chlorobenzamide
CID 43168230
4-[(4-amino-2-fluorobenzoyl)amino]-2-chlorobenzoic acid
CID 103869409

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide?
The IUPAC name of 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide (CID 107793809) is 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide is Nc1ccc(C(=O)Nc2c(Cl)ccc3scnc23)c(F)c1.
What is the InChIKey of 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide?
The InChIKey is KONJQMOVFFOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-9-3-4-11-13(18-6-21-11)12(9)19-14(20)8-2-1-7(17)5-10(8)16/h1-6H,17H2,(H,19,20).
What are the key properties of 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide?
4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide has a molecular weight of 321.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 107793809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).