N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide

C19H16ClFN4O3S — CID 18562089

IUPACN-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)NCc1ccccc1Cl
InChIInChI=1S/C19H16ClFN4O3S/c20-15-4-2-1-3-13(15)9-22-16(26)11-29-19-25-24-17(28-19)10-23-18(27)12-5-7-14(21)8-6-12/h1-8H,9-11H2,(H,22,26)(H,23,27)
InChIKeyWYZGRHHCRVUCHW-UHFFFAOYSA-N
MW434.88 g/mol
LogP3.20
Rot. Bonds8

About N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide

N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide (PubChem CID 18562089) has the molecular formula C19H16ClFN4O3S and a molecular weight of 434.88 g/mol. Its IUPAC name is N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide
PubChem CID18562089
Molecular FormulaC19H16ClFN4O3S
Molecular Weight434.88 g/mol
Exact Mass434.06
IUPAC NameN-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)NCc1ccccc1Cl
InChIInChI=1S/C19H16ClFN4O3S/c20-15-4-2-1-3-13(15)9-22-16(26)11-29-19-25-24-17(28-19)10-23-18(27)12-5-7-14(21)8-6-12/h1-8H,9-11H2,(H,22,26)(H,23,27)
InChIKeyWYZGRHHCRVUCHW-UHFFFAOYSA-N
XLogP3.20
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide (CID 18562089) is N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide is O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)NCc1ccccc1Cl.
What is the InChIKey of N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide?
The InChIKey is WYZGRHHCRVUCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O3S/c20-15-4-2-1-3-13(15)9-22-16(26)11-29-19-25-24-17(28-19)10-23-18(27)12-5-7-14(21)8-6-12/h1-8H,9-11H2,(H,22,26)(H,23,27).
What are the key properties of N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide?
N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide has a molecular weight of 434.88 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 18562089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).