N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide

C13H13FN2O3 — CID 110729773

IUPACN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide
SMILESO=C1COc2c(cc(F)cc2NC(=O)C2CCC2)N1
InChIInChI=1S/C13H13FN2O3/c14-8-4-9-12(19-6-11(17)15-9)10(5-8)16-13(18)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,17)(H,16,18)
InChIKeyBPMLDWHRZZFZJY-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.90
Rot. Bonds2

About N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide

N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide (PubChem CID 110729773) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide
PubChem CID110729773
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC NameN-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide
SMILESO=C1COc2c(cc(F)cc2NC(=O)C2CCC2)N1
InChIInChI=1S/C13H13FN2O3/c14-8-4-9-12(19-6-11(17)15-9)10(5-8)16-13(18)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,17)(H,16,18)
InChIKeyBPMLDWHRZZFZJY-UHFFFAOYSA-N
XLogP1.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(2-fluorophenyl)propanamide
CID 110729780
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-thiophen-2-ylpropanamide
CID 110729770
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)-3-(3-methylphenyl)propanamide
CID 110729776
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744799
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
2-(4-fluorophenoxy)-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)acetamide
CID 110729688
2-fluoro-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729628
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)cyclobutanecarboxamide
CID 75361169
N-(3-oxo-4H-1,4-benzoxazin-8-yl)oxane-2-carboxamide
CID 126797223
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 113092391
N-[2-(dimethylamino)-5-fluorophenyl]cyclobutanecarboxamide
CID 113092522

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide?
The IUPAC name of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide (CID 110729773) is N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide is O=C1COc2c(cc(F)cc2NC(=O)C2CCC2)N1.
What is the InChIKey of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide?
The InChIKey is BPMLDWHRZZFZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-8-4-9-12(19-6-11(17)15-9)10(5-8)16-13(18)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,15,17)(H,16,18).
What are the key properties of N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide?
N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide has a molecular weight of 264.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-oxo-4H-1,4-benzoxazin-8-yl)cyclobutanecarboxamide is sourced from PubChem (CID 110729773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).