N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide

C21H14N2O3 — CID 695640

IUPACN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccccc1
InChIInChI=1S/C21H14N2O3/c24-19(14-7-2-1-3-8-14)22-16-10-6-9-15(13-16)20-23-18-12-5-4-11-17(18)21(25)26-20/h1-13H,(H,22,24)
InChIKeySELRREFXULUALP-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.11
Rot. Bonds3

About N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide

N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide (PubChem CID 695640) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
PubChem CID695640
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC NameN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccccc1
InChIInChI=1S/C21H14N2O3/c24-19(14-7-2-1-3-8-14)22-16-10-6-9-15(13-16)20-23-18-12-5-4-11-17(18)21(25)26-20/h1-13H,(H,22,24)
InChIKeySELRREFXULUALP-UHFFFAOYSA-N
XLogP4.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
The IUPAC name of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide (CID 695640) is N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccccc1.
What is the InChIKey of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
The InChIKey is SELRREFXULUALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c24-19(14-7-2-1-3-8-14)22-16-10-6-9-15(13-16)20-23-18-12-5-4-11-17(18)21(25)26-20/h1-13H,(H,22,24).
What are the key properties of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide?
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide has a molecular weight of 342.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide is sourced from PubChem (CID 695640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).