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

C10H10ClFN4O — CID 114271173

IUPAC4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
SMILESNc1ccc(Cl)c(F)c1NCCc1ncno1
InChIInChI=1S/C10H10ClFN4O/c11-6-1-2-7(13)10(9(6)12)14-4-3-8-15-5-16-17-8/h1-2,5,14H,3-4,13H2
InChIKeyZNOXOJZZXYFRDB-UHFFFAOYSA-N
MW256.67 g/mol
LogP2.10
Rot. Bonds4

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

4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine (PubChem CID 114271173) has the molecular formula C10H10ClFN4O and a molecular weight of 256.67 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
PubChem CID114271173
Molecular FormulaC10H10ClFN4O
Molecular Weight256.67 g/mol
Exact Mass256.05
IUPAC Name4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
SMILESNc1ccc(Cl)c(F)c1NCCc1ncno1
InChIInChI=1S/C10H10ClFN4O/c11-6-1-2-7(13)10(9(6)12)14-4-3-8-15-5-16-17-8/h1-2,5,14H,3-4,13H2
InChIKeyZNOXOJZZXYFRDB-UHFFFAOYSA-N
XLogP2.10
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106393641
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393672
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561
4-bromo-5-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393728
4-bromo-5-fluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393762
3-amino-2,4-dichloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392278
2-[2-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]phenyl]acetonitrile
CID 114183089
6-methoxy-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 114183079
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 106393639
3-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridazine-3,6-diamine
CID 106411541
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 106411547

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine (CID 114271173) is 4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine is Nc1ccc(Cl)c(F)c1NCCc1ncno1.
What is the InChIKey of 4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine?
The InChIKey is ZNOXOJZZXYFRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O/c11-6-1-2-7(13)10(9(6)12)14-4-3-8-15-5-16-17-8/h1-2,5,14H,3-4,13H2.
What are the key properties of 4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine?
4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine has a molecular weight of 256.67 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 114271173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).