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

C21H14IN3O2 — CID 30329655

IUPAC2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1I
InChIInChI=1S/C21H14IN3O2/c22-17-12-6-4-10-15(17)20(26)23-18-13-7-5-11-16(18)21-24-19(25-27-21)14-8-2-1-3-9-14/h1-13H,(H,23,26)
InChIKeyFFRQQQGEXXVXMS-UHFFFAOYSA-N
MW467.27 g/mol
LogP5.26
Rot. Bonds4

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

2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 30329655) has the molecular formula C21H14IN3O2 and a molecular weight of 467.27 g/mol. Its IUPAC name is 2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID30329655
Molecular FormulaC21H14IN3O2
Molecular Weight467.27 g/mol
Exact Mass467.01
IUPAC Name2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1I
InChIInChI=1S/C21H14IN3O2/c22-17-12-6-4-10-15(17)20(26)23-18-13-7-5-11-16(18)21-24-19(25-27-21)14-8-2-1-3-9-14/h1-13H,(H,23,26)
InChIKeyFFRQQQGEXXVXMS-UHFFFAOYSA-N
XLogP5.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.27
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329649
2-iodo-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 43903830
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 30333479
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
N-(2-methoxy-5-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764352
2-methyl-3-nitro-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330128
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 2797889
4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329289
N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30331950
N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46288577
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332097

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 30329655) is 2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is FFRQQQGEXXVXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14IN3O2/c22-17-12-6-4-10-15(17)20(26)23-18-13-7-5-11-16(18)21-24-19(25-27-21)14-8-2-1-3-9-14/h1-13H,(H,23,26).
What are the key properties of 2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 467.27 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 30329655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).