N-[1-Cyano-2-(4,6-dichloro-2H-benzotriazol-2-yl)-1-methylethyl]-4-tert-butylbenzamide

HCID 25123010
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Basic information

Standard SMILES
CC(C#N)(Cn1nc2cc(Cl)cc(Cl)c2n1)NC(=O)c1ccc(C(C)(C)C)cc1
InChIKey
XJVOCCZETPLHTH-UHFFFAOYSA-N
Molecular formula
C21H21Cl2N5O
Average molar mass
430.3 g/mol

Names & identifiers

Preferred name
N-[1-Cyano-2-(4,6-dichloro-2H-benzotriazol-2-yl)-1-methylethyl]-4-tert-butylbenzamide
IUPAC
4-tert-butyl-N-[2-cyano-1-(4,6-dichlorobenzotriazol-2-yl)propan-2-yl]benzamide

Names & synonyms

SCHEMBL203166XJVOCCZETPLHTH-UHFFFAOYSA-NN-[1-Cyano-2-(4,6-dichloro-2H-benzotriazol-2-yl)-1-methylethyl]-4-tert-butylbenzamide

Database identifiers

PubChem CID
25123010

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
83.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
29

Related reactions

5 records
New reaction record

Linked notes

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N-[1-Cyano-2-(4,6-dichloro-2H-benzotriazol-2-yl)-1-methylethyl]-4-tert-butylbenzamide (HCID 25123010)｜Huagongshe