N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine

C14H12ClN3Se — CID 43715919

IUPACN-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCC(Nc1cccc2n[se]nc12)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3Se/c1-9(10-4-2-5-11(15)8-10)16-12-6-3-7-13-14(12)18-19-17-13/h2-9,16H,1H3
InChIKeyGQYZJLNDXKTOJG-UHFFFAOYSA-N
MW336.68 g/mol
LogP3.51
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine

N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43715919) has the molecular formula C14H12ClN3Se and a molecular weight of 336.68 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
PubChem CID43715919
Molecular FormulaC14H12ClN3Se
Molecular Weight336.68 g/mol
Exact Mass336.99
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCC(Nc1cccc2n[se]nc12)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3Se/c1-9(10-4-2-5-11(15)8-10)16-12-6-3-7-13-14(12)18-19-17-13/h2-9,16H,1H3
InChIKeyGQYZJLNDXKTOJG-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 53.51
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

4-[1-(2,1,3-benzoselenadiazol-4-ylamino)ethyl]phenol
CID 43715966
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
CID 43784901
N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine
CID 43108038
N-[1-(4-ethoxyphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715912
N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715970
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43716043
N-(3-methyl-1-phenylbutyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715911
N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine
CID 43784851
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43784897
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine (CID 43715919) is N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine is CC(Nc1cccc2n[se]nc12)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is GQYZJLNDXKTOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3Se/c1-9(10-4-2-5-11(15)8-10)16-12-6-3-7-13-14(12)18-19-17-13/h2-9,16H,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 336.68 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43715919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).