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

C16H12ClFN2OS — CID 34189759

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C16H12ClFN2OS/c1-2-20(15(21)11-8-7-10(18)9-12(11)17)16-19-13-5-3-4-6-14(13)22-16/h3-9H,2H2,1H3
InChIKeyRKEPSZRINQZKIO-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.76
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide (PubChem CID 34189759) has the molecular formula C16H12ClFN2OS and a molecular weight of 334.80 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
PubChem CID34189759
Molecular FormulaC16H12ClFN2OS
Molecular Weight334.80 g/mol
Exact Mass334.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1Cl)c1nc2ccccc2s1
InChIInChI=1S/C16H12ClFN2OS/c1-2-20(15(21)11-8-7-10(18)9-12(11)17)16-19-13-5-3-4-6-14(13)22-16/h3-9H,2H2,1H3
InChIKeyRKEPSZRINQZKIO-UHFFFAOYSA-N
XLogP4.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
CID 18193284
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
2-[(2-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511328
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43987062
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide
CID 34264564
2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41347067
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 7294762
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-fluorobenzamide
CID 7294738
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 16559957

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide (CID 34189759) is N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide is CCN(C(=O)c1ccc(F)cc1Cl)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide?
The InChIKey is RKEPSZRINQZKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS/c1-2-20(15(21)11-8-7-10(18)9-12(11)17)16-19-13-5-3-4-6-14(13)22-16/h3-9H,2H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide has a molecular weight of 334.80 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 34189759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).