4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide

C14H8ClFN2O2 — CID 67407580

IUPAC4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1noc2cccc(F)c12)c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClFN2O2/c15-9-6-4-8(5-7-9)14(19)17-13-12-10(16)2-1-3-11(12)20-18-13/h1-7H,(H,17,18,19)
InChIKeyDDVPSQAPEABSTE-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.87
Rot. Bonds2

About 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide

4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide (PubChem CID 67407580) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide
PubChem CID67407580
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1noc2cccc(F)c12)c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClFN2O2/c15-9-6-4-8(5-7-9)14(19)17-13-12-10(16)2-1-3-11(12)20-18-13/h1-7H,(H,17,18,19)
InChIKeyDDVPSQAPEABSTE-UHFFFAOYSA-N
XLogP3.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide (CID 67407580) is 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide is O=C(Nc1noc2cccc(F)c12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide?
The InChIKey is DDVPSQAPEABSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-9-6-4-8(5-7-9)14(19)17-13-12-10(16)2-1-3-11(12)20-18-13/h1-7H,(H,17,18,19).
What are the key properties of 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide?
4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide has a molecular weight of 290.68 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluoro-1,2-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 67407580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).