benzotriazol-1-yl-(3,5-dichlorophenyl)methanone

C13H7Cl2N3O — CID 146164024

IUPACbenzotriazol-1-yl-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)n1nnc2ccccc21
InChIInChI=1S/C13H7Cl2N3O/c14-9-5-8(6-10(15)7-9)13(19)18-12-4-2-1-3-11(12)16-17-18/h1-7H
InChIKeyKWWNFXLEGKVDRJ-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.43
Rot. Bonds1

About benzotriazol-1-yl-(3,5-dichlorophenyl)methanone

benzotriazol-1-yl-(3,5-dichlorophenyl)methanone (PubChem CID 146164024) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.13 g/mol. Its IUPAC name is benzotriazol-1-yl-(3,5-dichlorophenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(3,5-dichlorophenyl)methanone
PubChem CID146164024
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.13 g/mol
Exact Mass291.00
IUPAC Namebenzotriazol-1-yl-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)n1nnc2ccccc21
InChIInChI=1S/C13H7Cl2N3O/c14-9-5-8(6-10(15)7-9)13(19)18-12-4-2-1-3-11(12)16-17-18/h1-7H
InChIKeyKWWNFXLEGKVDRJ-UHFFFAOYSA-N
XLogP3.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-4-chlorophenyl)-(benzotriazol-1-yl)methanone
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benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
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benzotriazol-1-yl-(3-bromo-4-propan-2-yloxyphenyl)methanone
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benzotriazol-1-yl-[4-(2-methylpropoxy)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(3,5-dichlorophenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(3,5-dichlorophenyl)methanone (CID 146164024) is benzotriazol-1-yl-(3,5-dichlorophenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(3,5-dichlorophenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(3,5-dichlorophenyl)methanone is O=C(c1cc(Cl)cc(Cl)c1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(3,5-dichlorophenyl)methanone?
The InChIKey is KWWNFXLEGKVDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-9-5-8(6-10(15)7-9)13(19)18-12-4-2-1-3-11(12)16-17-18/h1-7H.
What are the key properties of benzotriazol-1-yl-(3,5-dichlorophenyl)methanone?
benzotriazol-1-yl-(3,5-dichlorophenyl)methanone has a molecular weight of 292.13 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(3,5-dichlorophenyl)methanone is sourced from PubChem (CID 146164024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).