N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide

C14H10FN3OSe — CID 62512502

IUPACN-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cccc3n[se]nc23)c1
InChIInChI=1S/C14H10FN3OSe/c1-8-5-6-10(15)9(7-8)14(19)16-11-3-2-4-12-13(11)18-20-17-12/h2-7H,1H3,(H,16,19)
InChIKeyUWICZPGBDLNVFC-UHFFFAOYSA-N
MW334.21 g/mol
LogP2.39
Rot. Bonds2

About N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide

N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide (PubChem CID 62512502) has the molecular formula C14H10FN3OSe and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide
PubChem CID62512502
Molecular FormulaC14H10FN3OSe
Molecular Weight334.21 g/mol
Exact Mass335.00
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cccc3n[se]nc23)c1
InChIInChI=1S/C14H10FN3OSe/c1-8-5-6-10(15)9(7-8)14(19)16-11-3-2-4-12-13(11)18-20-17-12/h2-7H,1H3,(H,16,19)
InChIKeyUWICZPGBDLNVFC-UHFFFAOYSA-N
XLogP2.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(2,1,3-benzoselenadiazol-4-yl)-4-fluoro-3-methylbenzamide
CID 63213096
2-fluoro-N-(3-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 64794363
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 60615646
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
2-[(2-fluoro-5-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 62514253
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 60630965
N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62509085

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide (CID 62512502) is N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2cccc3n[se]nc23)c1.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide?
The InChIKey is UWICZPGBDLNVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OSe/c1-8-5-6-10(15)9(7-8)14(19)16-11-3-2-4-12-13(11)18-20-17-12/h2-7H,1H3,(H,16,19).
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide?
N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide has a molecular weight of 334.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoselenadiazol-4-yl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62512502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).