2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide

C13H12ClFN2O2 — CID 91814410

IUPAC2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide
SMILESO=C(NCCCc1cnoc1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O2/c14-12-6-10(15)3-4-11(12)13(18)16-5-1-2-9-7-17-19-8-9/h3-4,6-8H,1-2,5H2,(H,16,18)
InChIKeyZDIOGHMPFUIUTM-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.83
Rot. Bonds5

About 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide

2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide (PubChem CID 91814410) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide
PubChem CID91814410
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide
SMILESO=C(NCCCc1cnoc1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O2/c14-12-6-10(15)3-4-11(12)13(18)16-5-1-2-9-7-17-19-8-9/h3-4,6-8H,1-2,5H2,(H,16,18)
InChIKeyZDIOGHMPFUIUTM-UHFFFAOYSA-N
XLogP2.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide (CID 91814410) is 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide is O=C(NCCCc1cnoc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide?
The InChIKey is ZDIOGHMPFUIUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c14-12-6-10(15)3-4-11(12)13(18)16-5-1-2-9-7-17-19-8-9/h3-4,6-8H,1-2,5H2,(H,16,18).
What are the key properties of 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide?
2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide has a molecular weight of 282.70 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-(1,2-oxazol-4-yl)propyl]benzamide is sourced from PubChem (CID 91814410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).