6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C20H17ClFN3O2 — CID 71208473

IUPAC6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCCC3C(N)=O)no1
InChIInChI=1S/C20H17ClFN3O2/c1-10-24-20(25-27-10)18-16(8-13(21)9-17(18)22)12-5-6-14-11(7-12)3-2-4-15(14)19(23)26/h5-9,15H,2-4H2,1H3,(H2,23,26)
InChIKeyCWEWZQZJCFZSFX-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.41
Rot. Bonds3

About 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 71208473) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID71208473
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCCC3C(N)=O)no1
InChIInChI=1S/C20H17ClFN3O2/c1-10-24-20(25-27-10)18-16(8-13(21)9-17(18)22)12-5-6-14-11(7-12)3-2-4-15(14)19(23)26/h5-9,15H,2-4H2,1H3,(H2,23,26)
InChIKeyCWEWZQZJCFZSFX-UHFFFAOYSA-N
XLogP4.41
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 71208473) is 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCCC3C(N)=O)no1.
What is the InChIKey of 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is CWEWZQZJCFZSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-10-24-20(25-27-10)18-16(8-13(21)9-17(18)22)12-5-6-14-11(7-12)3-2-4-15(14)19(23)26/h5-9,15H,2-4H2,1H3,(H2,23,26).
What are the key properties of 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 71208473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).