2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide

C16H14N2O3 — CID 110770297

IUPAC2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESO=C(Cc1ccc2c(c1)NC(=O)CO2)Nc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(17-12-4-2-1-3-5-12)9-11-6-7-14-13(8-11)18-16(20)10-21-14/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyJALMMFJMKFMJMX-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.20
Rot. Bonds3

About 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide

2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide (PubChem CID 110770297) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
PubChem CID110770297
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESO=C(Cc1ccc2c(c1)NC(=O)CO2)Nc1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(17-12-4-2-1-3-5-12)9-11-6-7-14-13(8-11)18-16(20)10-21-14/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyJALMMFJMKFMJMX-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide
CID 110390331
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 51153500
N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770301
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
N-benzyl-N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802705

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide (CID 110770297) is 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide is O=C(Cc1ccc2c(c1)NC(=O)CO2)Nc1ccccc1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The InChIKey is JALMMFJMKFMJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(17-12-4-2-1-3-5-12)9-11-6-7-14-13(8-11)18-16(20)10-21-14/h1-8H,9-10H2,(H,17,19)(H,18,20).
What are the key properties of 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide has a molecular weight of 282.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide is sourced from PubChem (CID 110770297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).