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

C20H14ClN3O2 — CID 42730200

IUPAC[5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
SMILESCOc1nc(-c2cccc(Cl)c2)n(C(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C20H14ClN3O2/c1-26-20-22-18(14-8-4-9-15(21)12-14)24(23-20)19(25)17-11-5-7-13-6-2-3-10-16(13)17/h2-12H,1H3
InChIKeyVTBDTTWMFSVNHE-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.45
Rot. Bonds3

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

[5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone (PubChem CID 42730200) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
PubChem CID42730200
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name[5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
SMILESCOc1nc(-c2cccc(Cl)c2)n(C(=O)c2cccc3ccccc23)n1
InChIInChI=1S/C20H14ClN3O2/c1-26-20-22-18(14-8-4-9-15(21)12-14)24(23-20)19(25)17-11-5-7-13-6-2-3-10-16(13)17/h2-12H,1H3
InChIKeyVTBDTTWMFSVNHE-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

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Related Compounds

[5-(2-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
CID 1061681
(2-chlorophenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone
CID 42730210
(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727132
(2-chlorophenyl)-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone
CID 42730398
[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 42730372
[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(3,4-dichlorophenyl)methanone
CID 42730241
[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone
CID 1062023
[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 3512072
1-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]heptan-1-one
CID 42730223
furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727133
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 19203542
(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 164941875

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone (CID 42730200) is [5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone is COc1nc(-c2cccc(Cl)c2)n(C(=O)c2cccc3ccccc23)n1.
What is the InChIKey of [5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is VTBDTTWMFSVNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-26-20-22-18(14-8-4-9-15(21)12-14)24(23-20)19(25)17-11-5-7-13-6-2-3-10-16(13)17/h2-12H,1H3.
What are the key properties of [5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone?
[5-(3-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-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 42730200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).