N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine

C15H13Cl2N3Se — CID 43784851

IUPACN-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCCC(Nc1cccc2n[se]nc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3Se/c1-2-12(9-6-7-10(16)11(17)8-9)18-13-4-3-5-14-15(13)20-21-19-14/h3-8,12,18H,2H2,1H3
InChIKeyQFYMGAWFUNOHBW-UHFFFAOYSA-N
MW385.16 g/mol
LogP4.56
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine

N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43784851) has the molecular formula C15H13Cl2N3Se and a molecular weight of 385.16 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine
PubChem CID43784851
Molecular FormulaC15H13Cl2N3Se
Molecular Weight385.16 g/mol
Exact Mass384.97
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCCC(Nc1cccc2n[se]nc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3Se/c1-2-12(9-6-7-10(16)11(17)8-9)18-13-4-3-5-14-15(13)20-21-19-14/h3-8,12,18H,2H2,1H3
InChIKeyQFYMGAWFUNOHBW-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 54.56
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)propyl]phenol
CID 43715909
N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline
CID 43765643
N-(3-methyl-1-phenylbutyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715911
N-(1-cyclopropylpropyl)-2,1,3-benzoselenadiazol-4-amine
CID 64919702
4-[1-(2,1,3-benzoselenadiazol-4-ylamino)ethyl]phenol
CID 43715966
N-[1-(4-ethoxyphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715912
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
N-[1-(3,4-dichlorophenyl)propyl]-4-iodo-2-methylaniline
CID 63440708
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
CID 43784901
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine (CID 43784851) is N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine is CCC(Nc1cccc2n[se]nc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is QFYMGAWFUNOHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3Se/c1-2-12(9-6-7-10(16)11(17)8-9)18-13-4-3-5-14-15(13)20-21-19-14/h3-8,12,18H,2H2,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine?
N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 385.16 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43784851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).