2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide

C22H17BrN2O4 — CID 38957191

IUPAC2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H17BrN2O4/c23-15-10-11-18-20(12-15)28-14-22(27)25(18)13-21(26)24-17-8-4-5-9-19(17)29-16-6-2-1-3-7-16/h1-12H,13-14H2,(H,24,26)
InChIKeyQMDPQDKIWXSCBN-UHFFFAOYSA-N
MW453.29 g/mol
LogP4.61
Rot. Bonds5

About 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide (PubChem CID 38957191) has the molecular formula C22H17BrN2O4 and a molecular weight of 453.29 g/mol. Its IUPAC name is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide
PubChem CID38957191
Molecular FormulaC22H17BrN2O4
Molecular Weight453.29 g/mol
Exact Mass452.04
IUPAC Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H17BrN2O4/c23-15-10-11-18-20(12-15)28-14-22(27)25(18)13-21(26)24-17-8-4-5-9-19(17)29-16-6-2-1-3-7-16/h1-12H,13-14H2,(H,24,26)
InChIKeyQMDPQDKIWXSCBN-UHFFFAOYSA-N
XLogP4.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 38983455
N-(2-benzylphenyl)-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 38956965
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
CID 112835343
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 38952079
2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 39464003
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-phenylphenoxy)ethyl]acetamide
CID 60592083
N-benzyl-2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetamide
CID 38983847
N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285561
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 55796595
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 8014768
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 39043950
N-[4-(2-chlorophenoxy)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24529854

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide (CID 38957191) is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide is O=C(CN1C(=O)COc2cc(Br)ccc21)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is QMDPQDKIWXSCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O4/c23-15-10-11-18-20(12-15)28-14-22(27)25(18)13-21(26)24-17-8-4-5-9-19(17)29-16-6-2-1-3-7-16/h1-12H,13-14H2,(H,24,26).
What are the key properties of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide?
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 453.29 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 38957191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).