N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide

C23H18ClFN2OS — CID 41116032

IUPACN-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1c(Cl)ccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(F)cc3)nc12
InChIInChI=1S/C23H18ClFN2OS/c1-15-19(24)11-12-20-22(15)26-23(29-20)27(14-17-5-3-2-4-6-17)21(28)13-16-7-9-18(25)10-8-16/h2-12H,13-14H2,1H3
InChIKeyHUGHBIFOSUXYCI-UHFFFAOYSA-N
MW424.93 g/mol
LogP6.17
Rot. Bonds5

About N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide

N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 41116032) has the molecular formula C23H18ClFN2OS and a molecular weight of 424.93 g/mol. Its IUPAC name is N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID41116032
Molecular FormulaC23H18ClFN2OS
Molecular Weight424.93 g/mol
Exact Mass424.08
IUPAC NameN-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1c(Cl)ccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(F)cc3)nc12
InChIInChI=1S/C23H18ClFN2OS/c1-15-19(24)11-12-20-22(15)26-23(29-20)27(14-17-5-3-2-4-6-17)21(28)13-16-7-9-18(25)10-8-16/h2-12H,13-14H2,1H3
InChIKeyHUGHBIFOSUXYCI-UHFFFAOYSA-N
XLogP6.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 41115931
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7615851
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 43967951
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 41109949
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966778
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990111
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41115490
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986787
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839106
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41115967
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990108
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 30712031

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide (CID 41116032) is N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide is Cc1c(Cl)ccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(F)cc3)nc12.
What is the InChIKey of N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is HUGHBIFOSUXYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2OS/c1-15-19(24)11-12-20-22(15)26-23(29-20)27(14-17-5-3-2-4-6-17)21(28)13-16-7-9-18(25)10-8-16/h2-12H,13-14H2,1H3.
What are the key properties of N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 424.93 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 41116032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).