4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine

C10H10FIN4O — CID 106394130

IUPAC4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1NCCc1ncon1
InChIInChI=1S/C10H10FIN4O/c11-6-3-9(8(13)4-7(6)12)14-2-1-10-15-5-17-16-10/h3-5,14H,1-2,13H2
InChIKeyWUPLNUWZMWFVAA-UHFFFAOYSA-N
MW348.12 g/mol
LogP2.05
Rot. Bonds4

About 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine

4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine (PubChem CID 106394130) has the molecular formula C10H10FIN4O and a molecular weight of 348.12 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
PubChem CID106394130
Molecular FormulaC10H10FIN4O
Molecular Weight348.12 g/mol
Exact Mass347.99
IUPAC Name4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1NCCc1ncon1
InChIInChI=1S/C10H10FIN4O/c11-6-3-9(8(13)4-7(6)12)14-2-1-10-15-5-17-16-10/h3-5,14H,1-2,13H2
InChIKeyWUPLNUWZMWFVAA-UHFFFAOYSA-N
XLogP2.05
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106393935
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394020
3-fluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394045
2-chloro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,4-diamine
CID 106394049
4-methyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106394127
2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 106404686
4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393220
4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106393963
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406282
2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101653
2-(2-amino-5-fluoro-4-iodoanilino)ethylurea
CID 83115916
4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426519

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine (CID 106394130) is 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine is Nc1cc(I)c(F)cc1NCCc1ncon1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
The InChIKey is WUPLNUWZMWFVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIN4O/c11-6-3-9(8(13)4-7(6)12)14-2-1-10-15-5-17-16-10/h3-5,14H,1-2,13H2.
What are the key properties of 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine has a molecular weight of 348.12 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106394130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).