N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide

C21H15ClN2O2S — CID 42999622

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C21H15ClN2O2S/c22-14-6-5-7-15(12-14)26-13-20(25)23-17-9-2-1-8-16(17)21-24-18-10-3-4-11-19(18)27-21/h1-12H,13H2,(H,23,25)
InChIKeyRAGULPXFDMYPHG-UHFFFAOYSA-N
MW394.88 g/mol
LogP5.63
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide (PubChem CID 42999622) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide
PubChem CID42999622
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C21H15ClN2O2S/c22-14-6-5-7-15(12-14)26-13-20(25)23-17-9-2-1-8-16(17)21-24-18-10-3-4-11-19(18)27-21/h1-12H,13H2,(H,23,25)
InChIKeyRAGULPXFDMYPHG-UHFFFAOYSA-N
XLogP5.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 16549812
2-(3-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 7818854
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1293093
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 5038970
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16563446
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 1362904
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-2-(4-tert-butylphenoxy)acetamide
CID 3942758
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide
CID 918649
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1396043
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 4502426
N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 114298101
2-(3-chlorophenoxy)-N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 121148348

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide (CID 42999622) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1)Nc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide?
The InChIKey is RAGULPXFDMYPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-14-6-5-7-15(12-14)26-13-20(25)23-17-9-2-1-8-16(17)21-24-18-10-3-4-11-19(18)27-21/h1-12H,13H2,(H,23,25).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide has a molecular weight of 394.88 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 42999622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).