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

C20H12Cl2N2O2 — CID 54596166

IUPAC2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2N2O2/c21-16-4-2-1-3-14(16)20(25)24-13-7-5-12(6-8-13)15-9-19-18(10-17(15)22)23-11-26-19/h1-11H,(H,24,25)
InChIKeyDRLBNWYTDRUADV-UHFFFAOYSA-N
MW383.23 g/mol
LogP6.05
Rot. Bonds3

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

2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide (PubChem CID 54596166) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
PubChem CID54596166
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C20H12Cl2N2O2/c21-16-4-2-1-3-14(16)20(25)24-13-7-5-12(6-8-13)15-9-19-18(10-17(15)22)23-11-26-19/h1-11H,(H,24,25)
InChIKeyDRLBNWYTDRUADV-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 2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide (CID 54596166) is 2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
The InChIKey is DRLBNWYTDRUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-16-4-2-1-3-14(16)20(25)24-13-7-5-12(6-8-13)15-9-19-18(10-17(15)22)23-11-26-19/h1-11H,(H,24,25).
What are the key properties of 2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide?
2-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 2-chloro-N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 54596166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).