3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide

C14H7Cl2FN2O2 — CID 11989313

IUPAC3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1noc2cc(F)ccc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H7Cl2FN2O2/c15-8-3-7(4-9(16)5-8)14(20)18-13-11-2-1-10(17)6-12(11)21-19-13/h1-6H,(H,18,19,20)
InChIKeyTUSDHUMKSTURJQ-UHFFFAOYSA-N
MW325.13 g/mol
LogP4.53
Rot. Bonds2

About 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide

3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide (PubChem CID 11989313) has the molecular formula C14H7Cl2FN2O2 and a molecular weight of 325.13 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide
PubChem CID11989313
Molecular FormulaC14H7Cl2FN2O2
Molecular Weight325.13 g/mol
Exact Mass323.99
IUPAC Name3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1noc2cc(F)ccc12)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H7Cl2FN2O2/c15-8-3-7(4-9(16)5-8)14(20)18-13-11-2-1-10(17)6-12(11)21-19-13/h1-6H,(H,18,19,20)
InChIKeyTUSDHUMKSTURJQ-UHFFFAOYSA-N
XLogP4.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide (CID 11989313) is 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide is O=C(Nc1noc2cc(F)ccc12)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide?
The InChIKey is TUSDHUMKSTURJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2O2/c15-8-3-7(4-9(16)5-8)14(20)18-13-11-2-1-10(17)6-12(11)21-19-13/h1-6H,(H,18,19,20).
What are the key properties of 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide?
3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide has a molecular weight of 325.13 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6-fluoro-1,2-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 11989313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).