3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C21H17FN2O4 — CID 51241340

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C21H17FN2O4/c22-16-4-2-1-3-15(16)18-9-6-14(28-18)7-10-20(25)23-13-5-8-19-17(11-13)24-21(26)12-27-19/h1-6,8-9,11H,7,10,12H2,(H,23,25)(H,24,26)
InChIKeyKDKNBIXISIDEDF-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.99
Rot. Bonds5

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 51241340) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID51241340
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C21H17FN2O4/c22-16-4-2-1-3-15(16)18-9-6-14(28-18)7-10-20(25)23-13-5-8-19-17(11-13)24-21(26)12-27-19/h1-6,8-9,11H,7,10,12H2,(H,23,25)(H,24,26)
InChIKeyKDKNBIXISIDEDF-UHFFFAOYSA-N
XLogP3.99
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
CID 17430904
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
CID 18093403
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 34184494
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 110390284
3-(4-chlorophenyl)sulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51153528
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide
CID 110390331
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide
CID 51153526
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51175989
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
3-[5-(2-fluorophenyl)furan-2-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 24505736

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 51241340) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is KDKNBIXISIDEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-16-4-2-1-3-15(16)18-9-6-14(28-18)7-10-20(25)23-13-5-8-19-17(11-13)24-21(26)12-27-19/h1-6,8-9,11H,7,10,12H2,(H,23,25)(H,24,26).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 380.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 51241340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).