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

C16H10Cl2FN3O2 — CID 110319707

IUPAC2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
SMILESO=C(NCc1nnc(-c2ccccc2Cl)o1)c1c(F)cccc1Cl
InChIInChI=1S/C16H10Cl2FN3O2/c17-10-5-2-1-4-9(10)16-22-21-13(24-16)8-20-15(23)14-11(18)6-3-7-12(14)19/h1-7H,8H2,(H,20,23)
InChIKeyWPLFWRWPYXVMIB-UHFFFAOYSA-N
MW366.18 g/mol
LogP4.11
Rot. Bonds4

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

2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide (PubChem CID 110319707) has the molecular formula C16H10Cl2FN3O2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
PubChem CID110319707
Molecular FormulaC16H10Cl2FN3O2
Molecular Weight366.18 g/mol
Exact Mass365.01
IUPAC Name2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
SMILESO=C(NCc1nnc(-c2ccccc2Cl)o1)c1c(F)cccc1Cl
InChIInChI=1S/C16H10Cl2FN3O2/c17-10-5-2-1-4-9(10)16-22-21-13(24-16)8-20-15(23)14-11(18)6-3-7-12(14)19/h1-7H,8H2,(H,20,23)
InChIKeyWPLFWRWPYXVMIB-UHFFFAOYSA-N
XLogP4.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318570
2-chloro-6-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318346
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319667
2-chloro-6-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110320138
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 110319665
3-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319675
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
2-chloro-6-fluoro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321097
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-difluorobenzamide
CID 110321560
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trifluoroaniline
CID 75380564
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
2-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide (CID 110319707) is 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide is O=C(NCc1nnc(-c2ccccc2Cl)o1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide?
The InChIKey is WPLFWRWPYXVMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O2/c17-10-5-2-1-4-9(10)16-22-21-13(24-16)8-20-15(23)14-11(18)6-3-7-12(14)19/h1-7H,8H2,(H,20,23).
What are the key properties of 2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide?
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide has a molecular weight of 366.18 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 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-fluorobenzamide is sourced from PubChem (CID 110319707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).