4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide

C17H15N3O4 — CID 110770344

IUPAC4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C17H15N3O4/c18-17(23)11-2-4-12(5-3-11)19-15(21)8-10-1-6-14-13(7-10)20-16(22)9-24-14/h1-7H,8-9H2,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyIDQLQIWWOYEKLN-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.30
Rot. Bonds4

About 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide

4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide (PubChem CID 110770344) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
PubChem CID110770344
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C17H15N3O4/c18-17(23)11-2-4-12(5-3-11)19-15(21)8-10-1-6-14-13(7-10)20-16(22)9-24-14/h1-7H,8-9H2,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyIDQLQIWWOYEKLN-UHFFFAOYSA-N
XLogP1.30
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345
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
N-(4-acetylphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770796
4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide
CID 167895843
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 51153500
N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 110390284

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide (CID 110770344) is 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide?
The InChIKey is IDQLQIWWOYEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c18-17(23)11-2-4-12(5-3-11)19-15(21)8-10-1-6-14-13(7-10)20-16(22)9-24-14/h1-7H,8-9H2,(H2,18,23)(H,19,21)(H,20,22).
What are the key properties of 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide?
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide has a molecular weight of 325.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide is sourced from PubChem (CID 110770344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).