[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone

C20H14ClN3O2 — CID 1061681

IUPAC[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
SMILESCOc1nc(-c2ccccc2Cl)n(C(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C20H14ClN3O2/c1-26-20-22-18(16-10-4-5-12-17(16)21)24(23-20)19(25)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyJLBFTEWHAHBGBG-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.45
Rot. Bonds3

About [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone

[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone (PubChem CID 1061681) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
PubChem CID1061681
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
SMILESCOc1nc(-c2ccccc2Cl)n(C(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C20H14ClN3O2/c1-26-20-22-18(16-10-4-5-12-17(16)21)24(23-20)19(25)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyJLBFTEWHAHBGBG-UHFFFAOYSA-N
XLogP4.45
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone 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

[5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
CID 42730200
[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-cyclopentylmethanone
CID 42727524
(2-chlorophenyl)-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]methanone
CID 42729510
(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727132
(2-chlorophenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone
CID 42730210
[5-(2-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone
CID 770874
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
(2-chlorophenyl)-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone
CID 42730398
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 108546172
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752665

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone (CID 1061681) is [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone is COc1nc(-c2ccccc2Cl)n(C(=O)c2cccc3ccccc23)n1.
What is the InChIKey of [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is JLBFTEWHAHBGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-26-20-22-18(16-10-4-5-12-17(16)21)24(23-20)19(25)15-11-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3.
What are the key properties of [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone?
[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 363.80 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 1061681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).