2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide

C14H6Cl3FN2O2 — CID 67408307

IUPAC2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide
SMILESO=C(Nc1noc2cc(Cl)ccc12)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H6Cl3FN2O2/c15-6-1-2-7-12(3-6)22-20-13(7)19-14(21)8-4-11(18)10(17)5-9(8)16/h1-5H,(H,19,20,21)
InChIKeyMUGXKXYPQVUYJT-UHFFFAOYSA-N
MW359.57 g/mol
LogP5.18
Rot. Bonds2

About 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide

2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide (PubChem CID 67408307) has the molecular formula C14H6Cl3FN2O2 and a molecular weight of 359.57 g/mol. Its IUPAC name is 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide
PubChem CID67408307
Molecular FormulaC14H6Cl3FN2O2
Molecular Weight359.57 g/mol
Exact Mass357.95
IUPAC Name2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide
SMILESO=C(Nc1noc2cc(Cl)ccc12)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H6Cl3FN2O2/c15-6-1-2-7-12(3-6)22-20-13(7)19-14(21)8-4-11(18)10(17)5-9(8)16/h1-5H,(H,19,20,21)
InChIKeyMUGXKXYPQVUYJT-UHFFFAOYSA-N
XLogP5.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.57
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide (CID 67408307) is 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide is O=C(Nc1noc2cc(Cl)ccc12)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide?
The InChIKey is MUGXKXYPQVUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3FN2O2/c15-6-1-2-7-12(3-6)22-20-13(7)19-14(21)8-4-11(18)10(17)5-9(8)16/h1-5H,(H,19,20,21).
What are the key properties of 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide?
2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide has a molecular weight of 359.57 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(6-chloro-1,2-benzoxazol-3-yl)-5-fluorobenzamide is sourced from PubChem (CID 67408307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).