2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide

C19H16Cl2FN3O2 — CID 8010886

IUPAC2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C19H16Cl2FN3O2/c1-2-10-25(19(26)17-14(21)8-5-9-15(17)22)11-16-23-24-18(27-16)12-6-3-4-7-13(12)20/h3-9H,2,10-11H2,1H3
InChIKeySNSYQPFYCIRGAA-UHFFFAOYSA-N
MW408.26 g/mol
LogP5.23
Rot. Bonds6

About 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide

2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide (PubChem CID 8010886) has the molecular formula C19H16Cl2FN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide
PubChem CID8010886
Molecular FormulaC19H16Cl2FN3O2
Molecular Weight408.26 g/mol
Exact Mass407.06
IUPAC Name2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C19H16Cl2FN3O2/c1-2-10-25(19(26)17-14(21)8-5-9-15(17)22)11-16-23-24-18(27-16)12-6-3-4-7-13(12)20/h3-9H,2,10-11H2,1H3
InChIKeySNSYQPFYCIRGAA-UHFFFAOYSA-N
XLogP5.23
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.26
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide?
The IUPAC name of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide (CID 8010886) is 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide.
What is the SMILES notation for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide?
The canonical SMILES for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide?
The InChIKey is SNSYQPFYCIRGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O2/c1-2-10-25(19(26)17-14(21)8-5-9-15(17)22)11-16-23-24-18(27-16)12-6-3-4-7-13(12)20/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide?
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide has a molecular weight of 408.26 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluoro-N-propylbenzamide is sourced from PubChem (CID 8010886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).