N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide

C22H16ClFN2O2S — CID 41109919

IUPACN-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C22H16ClFN2O2S/c23-16-9-11-17(12-10-16)28-14-20(27)26(13-15-5-2-1-3-6-15)22-25-21-18(24)7-4-8-19(21)29-22/h1-12H,13-14H2
InChIKeyRFSGLERVUDXOSY-UHFFFAOYSA-N
MW426.90 g/mol
LogP5.70
Rot. Bonds6

About N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide

N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41109919) has the molecular formula C22H16ClFN2O2S and a molecular weight of 426.90 g/mol. Its IUPAC name is N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID41109919
Molecular FormulaC22H16ClFN2O2S
Molecular Weight426.90 g/mol
Exact Mass426.06
IUPAC NameN-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C22H16ClFN2O2S/c23-16-9-11-17(12-10-16)28-14-20(27)26(13-15-5-2-1-3-6-15)22-25-21-18(24)7-4-8-19(21)29-22/h1-12H,13-14H2
InChIKeyRFSGLERVUDXOSY-UHFFFAOYSA-N
XLogP5.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.90
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(4-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41109767
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 41109949
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 40983556
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide;dihydrochloride
CID 56684306
2-(4-chlorophenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41055322
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966672
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990111
2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 16824150
N-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenoxyacetamide
CID 163718990
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 41343917
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43961473
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(2-pyrazol-1-ylethyl)acetamide
CID 30462429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 41109919) is N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is RFSGLERVUDXOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2S/c23-16-9-11-17(12-10-16)28-14-20(27)26(13-15-5-2-1-3-6-15)22-25-21-18(24)7-4-8-19(21)29-22/h1-12H,13-14H2.
What are the key properties of N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide?
N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 426.90 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41109919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).