2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide

C9H5ClF2N2O2 — CID 166430967

IUPAC2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
SMILESO=C(Nc1noc2ccc(F)cc12)C(F)Cl
InChIInChI=1S/C9H5ClF2N2O2/c10-7(12)9(15)13-8-5-3-4(11)1-2-6(5)16-14-8/h1-3,7H,(H,13,14,15)
InChIKeyHEWAFEPRRDOZDA-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.44
Rot. Bonds2

About 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide

2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide (PubChem CID 166430967) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
PubChem CID166430967
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide
SMILESO=C(Nc1noc2ccc(F)cc12)C(F)Cl
InChIInChI=1S/C9H5ClF2N2O2/c10-7(12)9(15)13-8-5-3-4(11)1-2-6(5)16-14-8/h1-3,7H,(H,13,14,15)
InChIKeyHEWAFEPRRDOZDA-UHFFFAOYSA-N
XLogP2.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(4-(benzo[d]isoxazol-3-yl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 49788939
N-(1,2-benzoxazol-3-yl)-2,6-difluorobenzamide
CID 8087352
3-Piperazin-1-yl-benzo[d]isoxazole hydrochloride
CID 13232476
3-(Piperazin-1-yl)-1,2-benzoxazole
CID 13232475
N-(1,2-benzoxazol-3-yl)-4-fluorobenzamide
CID 8087357
N-(1,2-benzoxazol-3-yl)-3-fluorobenzamide
CID 16012966
N-(4-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484853
N-(2-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484864
N-(1,2-benzoxazol-3-yl)benzamide
CID 6623735
N-(4-(trifluoromethyl)benzyl)benzo[d]isoxazol-3-amine
CID 45484876
N-(1,2-benzoxazol-3-yl)-4-methylbenzamide
CID 8087347
N-(1,2-benzoxazol-3-yl)-2,2-dimethylpropanamide
CID 6623762

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide (CID 166430967) is 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide is O=C(Nc1noc2ccc(F)cc12)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is HEWAFEPRRDOZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c10-7(12)9(15)13-8-5-3-4(11)1-2-6(5)16-14-8/h1-3,7H,(H,13,14,15).
What are the key properties of 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide?
2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 246.60 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(5-fluoro-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 166430967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).