N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide

C17H15ClFN3OS — CID 90605775

IUPACN-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1Cl)c1nc2c(F)cccc2s1
InChIInChI=1S/C17H15ClFN3OS/c1-22(17-21-16-13(19)7-4-8-14(16)24-17)10-15(23)20-9-11-5-2-3-6-12(11)18/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyXLCZPSBNPKTALJ-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.84
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide

N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide (PubChem CID 90605775) has the molecular formula C17H15ClFN3OS and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
PubChem CID90605775
Molecular FormulaC17H15ClFN3OS
Molecular Weight363.85 g/mol
Exact Mass363.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
SMILESCN(CC(=O)NCc1ccccc1Cl)c1nc2c(F)cccc2s1
InChIInChI=1S/C17H15ClFN3OS/c1-22(17-21-16-13(19)7-4-8-14(16)24-17)10-15(23)20-9-11-5-2-3-6-12(11)18/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyXLCZPSBNPKTALJ-UHFFFAOYSA-N
XLogP3.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide (CID 90605775) is N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide is CN(CC(=O)NCc1ccccc1Cl)c1nc2c(F)cccc2s1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide?
The InChIKey is XLCZPSBNPKTALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3OS/c1-22(17-21-16-13(19)7-4-8-14(16)24-17)10-15(23)20-9-11-5-2-3-6-12(11)18/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide has a molecular weight of 363.85 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide is sourced from PubChem (CID 90605775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).