benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone

C14H10ClN3O2 — CID 879855

IUPACbenzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)n1nnc2ccccc21
InChIInChI=1S/C14H10ClN3O2/c1-20-13-7-6-9(15)8-10(13)14(19)18-12-5-3-2-4-11(12)16-17-18/h2-8H,1H3
InChIKeyWPJJIQYSOSVKMD-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.78
Rot. Bonds2

About benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone

benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 879855) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone
PubChem CID879855
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Namebenzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)n1nnc2ccccc21
InChIInChI=1S/C14H10ClN3O2/c1-20-13-7-6-9(15)8-10(13)14(19)18-12-5-3-2-4-11(12)16-17-18/h2-8H,1H3
InChIKeyWPJJIQYSOSVKMD-UHFFFAOYSA-N
XLogP2.78
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-Methoxybenzoyl)-1H-benzotriazole
CID 710644
(5-chloro-2-methoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 887689
1-(2-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 898930
2-(1H-1,2,3-Benzotriazole-1-carbonyl)phenol
CID 11042812
5-chloro-N-[2-(4-ethylphenyl)-6-methyl-2H-benzotriazol-5-yl]-2-methoxybenzamide
CID 4668866
(5-Chlorobenzotriazol-1-yl)-(2-hydroxyphenyl)methanone
CID 10967695
5-chloro-N-[2-(4-fluorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-methoxybenzamide
CID 1363784
Benzotriazol-1-yl-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 760115
Benzotriazol-1-yl-(2,6-dimethoxyphenyl)methanone
CID 771947
(E)-1-(benzotriazol-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 5948143
1-(2-(1H-1,2,3-Benzotriazol-1-ylmethoxy)phenyl)ethanone
CID 3279303
5-Chloro-2-methoxy-N-[2-(4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-YL]benzamide
CID 1007382

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone (CID 879855) is benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is WPJJIQYSOSVKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-20-13-7-6-9(15)8-10(13)14(19)18-12-5-3-2-4-11(12)16-17-18/h2-8H,1H3.
What are the key properties of benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone?
benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 287.71 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 879855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).