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

C20H12Cl2N2O2 — CID 54596605

IUPAC4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2N2O2/c21-14-5-1-13(2-6-14)20(25)24-15-7-3-12(4-8-15)16-9-19-18(10-17(16)22)23-11-26-19/h1-11H,(H,24,25)
InChIKeyTYUJKBYACSYWJK-UHFFFAOYSA-N
MW383.23 g/mol
LogP6.05
Rot. Bonds3

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

4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide (PubChem CID 54596605) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
PubChem CID54596605
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H12Cl2N2O2/c21-14-5-1-13(2-6-14)20(25)24-15-7-3-12(4-8-15)16-9-19-18(10-17(16)22)23-11-26-19/h1-11H,(H,24,25)
InChIKeyTYUJKBYACSYWJK-UHFFFAOYSA-N
XLogP6.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide (CID 54596605) is 4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
The InChIKey is TYUJKBYACSYWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-14-5-1-13(2-6-14)20(25)24-15-7-3-12(4-8-15)16-9-19-18(10-17(16)22)23-11-26-19/h1-11H,(H,24,25).
What are the key properties of 4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide has a molecular weight of 383.23 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 54596605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).