N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide

C20H12ClFN2O2 — CID 54596607

IUPACN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1F
InChIInChI=1S/C20H12ClFN2O2/c21-16-10-18-19(26-11-23-18)9-15(16)12-5-7-13(8-6-12)24-20(25)14-3-1-2-4-17(14)22/h1-11H,(H,24,25)
InChIKeyCERZOENYGMBMQD-UHFFFAOYSA-N
MW366.78 g/mol
LogP5.54
Rot. Bonds3

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

N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide (PubChem CID 54596607) has the molecular formula C20H12ClFN2O2 and a molecular weight of 366.78 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide
PubChem CID54596607
Molecular FormulaC20H12ClFN2O2
Molecular Weight366.78 g/mol
Exact Mass366.06
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1F
InChIInChI=1S/C20H12ClFN2O2/c21-16-10-18-19(26-11-23-18)9-15(16)12-5-7-13(8-6-12)24-20(25)14-3-1-2-4-17(14)22/h1-11H,(H,24,25)
InChIKeyCERZOENYGMBMQD-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-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide (CID 54596607) is N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide is O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1F.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide?
The InChIKey is CERZOENYGMBMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O2/c21-16-10-18-19(26-11-23-18)9-15(16)12-5-7-13(8-6-12)24-20(25)14-3-1-2-4-17(14)22/h1-11H,(H,24,25).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide?
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-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-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 54596607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).