2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C19H17BrN2O4 — CID 55687411

IUPAC2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2cc(Br)ccc21)NC1CCOc2ccccc21
InChIInChI=1S/C19H17BrN2O4/c20-12-5-6-15-17(9-12)26-11-19(24)22(15)10-18(23)21-14-7-8-25-16-4-2-1-3-13(14)16/h1-6,9,14H,7-8,10-11H2,(H,21,23)
InChIKeyRLFKZGVPRCQITO-UHFFFAOYSA-N
MW417.26 g/mol
LogP2.81
Rot. Bonds3

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

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 55687411) has the molecular formula C19H17BrN2O4 and a molecular weight of 417.26 g/mol. Its IUPAC name is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID55687411
Molecular FormulaC19H17BrN2O4
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2cc(Br)ccc21)NC1CCOc2ccccc21
InChIInChI=1S/C19H17BrN2O4/c20-12-5-6-15-17(9-12)26-11-19(24)22(15)10-18(23)21-14-7-8-25-16-4-2-1-3-13(14)16/h1-6,9,14H,7-8,10-11H2,(H,21,23)
InChIKeyRLFKZGVPRCQITO-UHFFFAOYSA-N
XLogP2.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46970464
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CID 18115280
N-(2-adamantyl)-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 78872494
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 38952079
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 39043950
N-benzyl-2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetamide
CID 38983847
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119502516
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26011956
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 42897100
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55892124
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78872400
N-(2-benzylphenyl)-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 55687411) is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is O=C(CN1C(=O)COc2cc(Br)ccc21)NC1CCOc2ccccc21.
What is the InChIKey of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is RLFKZGVPRCQITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O4/c20-12-5-6-15-17(9-12)26-11-19(24)22(15)10-18(23)21-14-7-8-25-16-4-2-1-3-13(14)16/h1-6,9,14H,7-8,10-11H2,(H,21,23).
What are the key properties of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 417.26 g/mol, XLogP of 2.81, 3 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-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 55687411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).