2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C19H17ClN2O4 — CID 46970464

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CCOc2ccccc21
InChIInChI=1S/C19H17ClN2O4/c20-12-5-6-17-15(9-12)22(19(24)11-26-17)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)
InChIKeyWXVIZYQNPMMEPO-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.71
Rot. Bonds3

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 46970464) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID46970464
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CCOc2ccccc21
InChIInChI=1S/C19H17ClN2O4/c20-12-5-6-17-15(9-12)22(19(24)11-26-17)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)
InChIKeyWXVIZYQNPMMEPO-UHFFFAOYSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.71
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-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 55687411
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 23410828
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18115280
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 43046838
N-(2-bromophenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3494008
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 42897100
4-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 31158542
N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15995960
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 6473257
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98785710

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 46970464) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CCOc2ccccc21.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is WXVIZYQNPMMEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-12-5-6-17-15(9-12)22(19(24)11-26-17)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-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 372.81 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 46970464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).