N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide

C17H15FN2O2S — CID 71851650

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESCN(Cc1ccccc1F)C(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C17H15FN2O2S/c1-19(10-12-6-2-4-8-14(12)18)16(21)11-20-17(22)13-7-3-5-9-15(13)23-20/h2-9H,10-11H2,1H3
InChIKeyCLTYFSNAOCTXMV-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.86
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 71851650) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID71851650
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESCN(Cc1ccccc1F)C(=O)Cn1sc2ccccc2c1=O
InChIInChI=1S/C17H15FN2O2S/c1-19(10-12-6-2-4-8-14(12)18)16(21)11-20-17(22)13-7-3-5-9-15(13)23-20/h2-9H,10-11H2,1H3
InChIKeyCLTYFSNAOCTXMV-UHFFFAOYSA-N
XLogP2.86
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-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

2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 86932561
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 97274468
N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 97278275
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 32757789
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 18203184
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(2-fluorophenyl)methyl]-2-(3-hydroxypropylsulfanyl)-N-methylacetamide
CID 66112745
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612552
3-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 31138609
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 71851650) is N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is CN(Cc1ccccc1F)C(=O)Cn1sc2ccccc2c1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is CLTYFSNAOCTXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-19(10-12-6-2-4-8-14(12)18)16(21)11-20-17(22)13-7-3-5-9-15(13)23-20/h2-9H,10-11H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 330.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 71851650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).