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

C16H14N2O3 — CID 666402

IUPACN-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C16H14N2O3/c1-10(19)17-12-8-6-11(7-9-12)16-18-15(20)13-4-2-3-5-14(13)21-16/h2-9,16H,1H3,(H,17,19)(H,18,20)
InChIKeyFLHCLUICGGJALC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.47
Rot. Bonds2

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

N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide (PubChem CID 666402) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide
PubChem CID666402
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2NC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C16H14N2O3/c1-10(19)17-12-8-6-11(7-9-12)16-18-15(20)13-4-2-3-5-14(13)21-16/h2-9,16H,1H3,(H,17,19)(H,18,20)
InChIKeyFLHCLUICGGJALC-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide (CID 666402) is N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2NC(=O)c3ccccc3O2)cc1.
What is the InChIKey of N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide?
The InChIKey is FLHCLUICGGJALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(19)17-12-8-6-11(7-9-12)16-18-15(20)13-4-2-3-5-14(13)21-16/h2-9,16H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide?
N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 666402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).