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

C18H17FN2O3 — CID 110789945

IUPAC2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H17FN2O3/c19-14-3-1-2-13(8-14)10-17(22)20-7-6-12-4-5-16-15(9-12)21-18(23)11-24-16/h1-5,8-9H,6-7,10-11H2,(H,20,22)(H,21,23)
InChIKeyKOTBSZIDHZYFEM-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.06
Rot. Bonds5

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

2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide (PubChem CID 110789945) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
PubChem CID110789945
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H17FN2O3/c19-14-3-1-2-13(8-14)10-17(22)20-7-6-12-4-5-16-15(9-12)21-18(23)11-24-16/h1-5,8-9H,6-7,10-11H2,(H,20,22)(H,21,23)
InChIKeyKOTBSZIDHZYFEM-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789939
3-(4-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789938
2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789954
2-(3-fluorophenyl)-N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110790075
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
N-[(3-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770256
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795833
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789900
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
CID 110789922
3-(4-fluorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738439

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide (CID 110789945) is 2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide is O=C(Cc1cccc(F)c1)NCCc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
The InChIKey is KOTBSZIDHZYFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-3-1-2-13(8-14)10-17(22)20-7-6-12-4-5-16-15(9-12)21-18(23)11-24-16/h1-5,8-9H,6-7,10-11H2,(H,20,22)(H,21,23).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide has a molecular weight of 328.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide is sourced from PubChem (CID 110789945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).