N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide

C16H11BrN2O3 — CID 17172091

IUPACN-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1
InChIInChI=1S/C16H11BrN2O3/c1-9(20)18-12-5-2-10(3-6-12)15-19-14-7-4-11(17)8-13(14)16(21)22-15/h2-8H,1H3,(H,18,20)
InChIKeyBVNFVBRFWIGCHB-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.58
Rot. Bonds2

About N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide

N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (PubChem CID 17172091) has the molecular formula C16H11BrN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
PubChem CID17172091
Molecular FormulaC16H11BrN2O3
Molecular Weight359.18 g/mol
Exact Mass358.00
IUPAC NameN-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1
InChIInChI=1S/C16H11BrN2O3/c1-9(20)18-12-5-2-10(3-6-12)15-19-14-7-4-11(17)8-13(14)16(21)22-15/h2-8H,1H3,(H,18,20)
InChIKeyBVNFVBRFWIGCHB-UHFFFAOYSA-N
XLogP3.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide
CID 1381906
6-bromo-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 742622
2-(4-bromophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 21082436
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-ethylisoindole-1,3-dione
CID 4243875
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
6-chloro-2-[4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
CID 18432334
2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one
CID 2228925
2-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pentanamide
CID 17359918
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclopropanecarboxamide
CID 977986
N-[4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-methylbutanamide
CID 17172080
6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
CID 132786054

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide (CID 17172091) is N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3ccc(Br)cc3c(=O)o2)cc1.
What is the InChIKey of N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
The InChIKey is BVNFVBRFWIGCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3/c1-9(20)18-12-5-2-10(3-6-12)15-19-14-7-4-11(17)8-13(14)16(21)22-15/h2-8H,1H3,(H,18,20).
What are the key properties of N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide?
N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide has a molecular weight of 359.18 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 17172091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).