2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide

C14H6Cl2F2N2O2 — CID 11989181

IUPAC2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1noc2c(F)cccc12)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H6Cl2F2N2O2/c15-8-5-9(16)11(18)4-7(8)14(21)19-13-6-2-1-3-10(17)12(6)22-20-13/h1-5H,(H,19,20,21)
InChIKeyQRCOZWLJUIHLHJ-UHFFFAOYSA-N
MW343.12 g/mol
LogP4.67
Rot. Bonds2

About 2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide

2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide (PubChem CID 11989181) has the molecular formula C14H6Cl2F2N2O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide
PubChem CID11989181
Molecular FormulaC14H6Cl2F2N2O2
Molecular Weight343.12 g/mol
Exact Mass341.98
IUPAC Name2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1noc2c(F)cccc12)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H6Cl2F2N2O2/c15-8-5-9(16)11(18)4-7(8)14(21)19-13-6-2-1-3-10(17)12(6)22-20-13/h1-5H,(H,19,20,21)
InChIKeyQRCOZWLJUIHLHJ-UHFFFAOYSA-N
XLogP4.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 54.67
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-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide (CID 11989181) is 2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide is O=C(Nc1noc2c(F)cccc12)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide?
The InChIKey is QRCOZWLJUIHLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2F2N2O2/c15-8-5-9(16)11(18)4-7(8)14(21)19-13-6-2-1-3-10(17)12(6)22-20-13/h1-5H,(H,19,20,21).
What are the key properties of 2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide?
2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide has a molecular weight of 343.12 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(7-fluoro-1,2-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 11989181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).