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

C19H19FN2O3 — CID 110789939

IUPAC3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
SMILESO=C(CCc1cccc(F)c1)NCCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H19FN2O3/c20-15-3-1-2-13(10-15)5-7-18(23)21-9-8-14-4-6-17-16(11-14)22-19(24)12-25-17/h1-4,6,10-11H,5,7-9,12H2,(H,21,23)(H,22,24)
InChIKeyJPSOTSKVMSLIDC-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.45
Rot. Bonds6

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

3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide (PubChem CID 110789939) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
PubChem CID110789939
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
SMILESO=C(CCc1cccc(F)c1)NCCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H19FN2O3/c20-15-3-1-2-13(10-15)5-7-18(23)21-9-8-14-4-6-17-16(11-14)22-19(24)12-25-17/h1-4,6,10-11H,5,7-9,12H2,(H,21,23)(H,22,24)
InChIKeyJPSOTSKVMSLIDC-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789945
3-(4-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789938
3-(4-fluorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738439
2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789954
4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide
CID 110344950
3-fluoro-N-[2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)ethyl]benzamide
CID 110790137
3-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789899
3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 22551363
2-(3-fluorophenyl)-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110790075
N-[(3-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17403166
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789900
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795833

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide (CID 110789939) is 3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide is O=C(CCc1cccc(F)c1)NCCc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
The InChIKey is JPSOTSKVMSLIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-3-1-2-13(10-15)5-7-18(23)21-9-8-14-4-6-17-16(11-14)22-19(24)12-25-17/h1-4,6,10-11H,5,7-9,12H2,(H,21,23)(H,22,24).
What are the key properties of 3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide?
3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide has a molecular weight of 342.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide is sourced from PubChem (CID 110789939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).