N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide

C16H14ClFN4OS — CID 31374744

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc2nsnc12)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN4OS/c1-22(8-10-11(17)4-2-5-12(10)18)9-15(23)19-13-6-3-7-14-16(13)21-24-20-14/h2-7H,8-9H2,1H3,(H,19,23)
InChIKeyNYOPWYNOJCDSBD-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.55
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 31374744) has the molecular formula C16H14ClFN4OS and a molecular weight of 364.83 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
PubChem CID31374744
Molecular FormulaC16H14ClFN4OS
Molecular Weight364.83 g/mol
Exact Mass364.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc2nsnc12)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN4OS/c1-22(8-10-11(17)4-2-5-12(10)18)9-15(23)19-13-6-3-7-14-16(13)21-24-20-14/h2-7H,8-9H2,1H3,(H,19,23)
InChIKeyNYOPWYNOJCDSBD-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide (CID 31374744) is N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cccc2nsnc12)Cc1c(F)cccc1Cl.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is NYOPWYNOJCDSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4OS/c1-22(8-10-11(17)4-2-5-12(10)18)9-15(23)19-13-6-3-7-14-16(13)21-24-20-14/h2-7H,8-9H2,1H3,(H,19,23).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 364.83 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 31374744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).