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

C16H12N2O3 — CID 693837

IUPACN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C16H12N2O3/c1-10(19)17-12-6-4-5-11(9-12)15-18-14-8-3-2-7-13(14)16(20)21-15/h2-9H,1H3,(H,17,19)
InChIKeyXSBOJWUPSZFPAH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.81
Rot. Bonds2

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

N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (PubChem CID 693837) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
PubChem CID693837
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C16H12N2O3/c1-10(19)17-12-6-4-5-11(9-12)15-18-14-8-3-2-7-13(14)16(20)21-15/h2-9H,1H3,(H,17,19)
InChIKeyXSBOJWUPSZFPAH-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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Related Compounds

N-Benzoylanthranilate
CID 5091716
Methyl n-acetylanthranilate
CID 17623
Ufenamate
CID 5632
2-(4-Fluorobenzoylamino)benzoic acid methyl ester
CID 310557
2-Phenyl-3,1-benzoxazin-4-one
CID 13926
2-Anilino-4H-3,1-benzoxazin-4-one
CID 589883
2-p-Tolyl-benzo[d][1,3]oxazin-4-one
CID 292612
2-(2-Tolyl)-4H-3,1-benzoxazin-4-one
CID 810910
2-(3-Tolyl)-4H-3,1-benzoxazin-4-one
CID 708712
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
Colfenamate
CID 198806
2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (CID 693837) is N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1.
What is the InChIKey of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The InChIKey is XSBOJWUPSZFPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10(19)17-12-6-4-5-11(9-12)15-18-14-8-3-2-7-13(14)16(20)21-15/h2-9H,1H3,(H,17,19).
What are the key properties of N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
N-[3-(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-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 693837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).