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

C16H12N2O3 — CID 1097045

IUPACN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C16H12N2O3/c1-10(19)17-12-8-6-11(7-9-12)15-18-14-5-3-2-4-13(14)16(20)21-15/h2-9H,1H3,(H,17,19)
InChIKeySOTQWBOGQWEBPZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.81
Rot. Bonds2

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

N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (PubChem CID 1097045) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
PubChem CID1097045
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
InChIInChI=1S/C16H12N2O3/c1-10(19)17-12-8-6-11(7-9-12)15-18-14-5-3-2-4-13(14)16(20)21-15/h2-9H,1H3,(H,17,19)
InChIKeySOTQWBOGQWEBPZ-UHFFFAOYSA-N
XLogP2.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (CID 1097045) is N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1.
What is the InChIKey of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The InChIKey is SOTQWBOGQWEBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10(19)17-12-8-6-11(7-9-12)15-18-14-5-3-2-4-13(14)16(20)21-15/h2-9H,1H3,(H,17,19).
What are the key properties of N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide has a molecular weight of 280.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 1097045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).