N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide

C20H12ClFN2O2 — CID 1103994

IUPACN-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1F
InChIInChI=1S/C20H12ClFN2O2/c21-15-10-9-12(23-19(25)13-5-1-2-6-16(13)22)11-14(15)20-24-17-7-3-4-8-18(17)26-20/h1-11H,(H,23,25)
InChIKeyQEOLRMLXGDRJJM-UHFFFAOYSA-N
MW366.78 g/mol
LogP5.54
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide

N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide (PubChem CID 1103994) has the molecular formula C20H12ClFN2O2 and a molecular weight of 366.78 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide
PubChem CID1103994
Molecular FormulaC20H12ClFN2O2
Molecular Weight366.78 g/mol
Exact Mass366.06
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1F
InChIInChI=1S/C20H12ClFN2O2/c21-15-10-9-12(23-19(25)13-5-1-2-6-16(13)22)11-14(15)20-24-17-7-3-4-8-18(17)26-20/h1-11H,(H,23,25)
InChIKeyQEOLRMLXGDRJJM-UHFFFAOYSA-N
XLogP5.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.78
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide (CID 1103994) is N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide is O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1F.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide?
The InChIKey is QEOLRMLXGDRJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O2/c21-15-10-9-12(23-19(25)13-5-1-2-6-16(13)22)11-14(15)20-24-17-7-3-4-8-18(17)26-20/h1-11H,(H,23,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide?
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide has a molecular weight of 366.78 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-fluorobenzamide is sourced from PubChem (CID 1103994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).