4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide

C14H12ClF2N3O3 — CID 86788801

IUPAC4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H12ClF2N3O3/c15-9-6-10(16)8(5-11(9)17)12(21)19-14(1-3-22-4-2-14)13-18-7-23-20-13/h5-7H,1-4H2,(H,19,21)
InChIKeyMQXSGSGFKKHGFR-UHFFFAOYSA-N
MW343.72 g/mol
LogP2.44
Rot. Bonds3

About 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide

4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide (PubChem CID 86788801) has the molecular formula C14H12ClF2N3O3 and a molecular weight of 343.72 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
PubChem CID86788801
Molecular FormulaC14H12ClF2N3O3
Molecular Weight343.72 g/mol
Exact Mass343.05
IUPAC Name4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
SMILESO=C(NC1(c2ncon2)CCOCC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H12ClF2N3O3/c15-9-6-10(16)8(5-11(9)17)12(21)19-14(1-3-22-4-2-14)13-18-7-23-20-13/h5-7H,1-4H2,(H,19,21)
InChIKeyMQXSGSGFKKHGFR-UHFFFAOYSA-N
XLogP2.44
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide (CID 86788801) is 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide is O=C(NC1(c2ncon2)CCOCC1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
The InChIKey is MQXSGSGFKKHGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O3/c15-9-6-10(16)8(5-11(9)17)12(21)19-14(1-3-22-4-2-14)13-18-7-23-20-13/h5-7H,1-4H2,(H,19,21).
What are the key properties of 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide?
4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide has a molecular weight of 343.72 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 86788801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).