3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

C22H13Cl2F2N3O2 — CID 130288636

IUPAC3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(F)c(F)c1)c1nc(-c2ccccc2)no1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H13Cl2F2N3O2/c23-15-8-14(9-16(24)11-15)21(30)27-19(13-6-7-17(25)18(26)10-13)22-28-20(29-31-22)12-4-2-1-3-5-12/h1-11,19H,(H,27,30)
InChIKeyDSWRSIFZAROYJS-UHFFFAOYSA-N
MW460.27 g/mol
LogP5.84
Rot. Bonds5

About 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 130288636) has the molecular formula C22H13Cl2F2N3O2 and a molecular weight of 460.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID130288636
Molecular FormulaC22H13Cl2F2N3O2
Molecular Weight460.27 g/mol
Exact Mass459.04
IUPAC Name3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(F)c(F)c1)c1nc(-c2ccccc2)no1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C22H13Cl2F2N3O2/c23-15-8-14(9-16(24)11-15)21(30)27-19(13-6-7-17(25)18(26)10-13)22-28-20(29-31-22)12-4-2-1-3-5-12/h1-11,19H,(H,27,30)
InChIKeyDSWRSIFZAROYJS-UHFFFAOYSA-N
XLogP5.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.27
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 73050832
3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 73050827
3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 73050839
6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 73050826
5-chloro-2-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123379
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
3,5-dichloro-4-ethoxy-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 118984725
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
(S)-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832497
6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 121264246
2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 83279735
2-chloro-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-5-methylsulfanylbenzamide
CID 47078876

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 130288636) is 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is O=C(NC(c1ccc(F)c(F)c1)c1nc(-c2ccccc2)no1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is DSWRSIFZAROYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F2N3O2/c23-15-8-14(9-16(24)11-15)21(30)27-19(13-6-7-17(25)18(26)10-13)22-28-20(29-31-22)12-4-2-1-3-5-12/h1-11,19H,(H,27,30).
What are the key properties of 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 460.27 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 130288636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).