[1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone

C16H12ClN3O2 — CID 25270361

IUPAC[1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1(On2nnc3ccccc32)CC1
InChIInChI=1S/C16H12ClN3O2/c17-12-7-5-11(6-8-12)15(21)16(9-10-16)22-20-14-4-2-1-3-13(14)18-19-20/h1-8H,9-10H2
InChIKeySOKWSOGKYQNAKT-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.93
Rot. Bonds4

About [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone

[1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone (PubChem CID 25270361) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone
PubChem CID25270361
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name[1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1(On2nnc3ccccc32)CC1
InChIInChI=1S/C16H12ClN3O2/c17-12-7-5-11(6-8-12)15(21)16(9-10-16)22-20-14-4-2-1-3-13(14)18-19-20/h1-8H,9-10H2
InChIKeySOKWSOGKYQNAKT-UHFFFAOYSA-N
XLogP2.93
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone?
The IUPAC name of [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone (CID 25270361) is [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)C1(On2nnc3ccccc32)CC1.
What is the InChIKey of [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone?
The InChIKey is SOKWSOGKYQNAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-12-7-5-11(6-8-12)15(21)16(9-10-16)22-20-14-4-2-1-3-13(14)18-19-20/h1-8H,9-10H2.
What are the key properties of [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone?
[1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone has a molecular weight of 313.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzotriazol-1-yloxy)cyclopropyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 25270361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).