N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide

C17H15FN2O3 — CID 110742366

IUPACN-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCOc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C17H15FN2O3/c18-13-6-7-15-14(10-13)20(8-9-23-15)16(21)11-19-17(22)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)
InChIKeyDCQUWRWZWUSHDC-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.98
Rot. Bonds3

About N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide

N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide (PubChem CID 110742366) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide
PubChem CID110742366
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC NameN-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCOc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C17H15FN2O3/c18-13-6-7-15-14(10-13)20(8-9-23-15)16(21)11-19-17(22)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)
InChIKeyDCQUWRWZWUSHDC-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 110639273
6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 91461591
2-[3-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110412198
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 110639329
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-fluorophenoxy)ethanone
CID 110714309
N-[3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 56792455
2-ethyl-1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one
CID 110639282
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110714305
N-[2-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-2-oxoethyl]benzamide
CID 110672755
(3,5-dichloro-4-hydroxyphenyl)-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 11624297
[(4S)-3,4-dihydro-2H-chromen-4-yl]-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 97053753
N-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 166206936

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide (CID 110742366) is N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCOc2ccc(F)cc21)c1ccccc1.
What is the InChIKey of N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide?
The InChIKey is DCQUWRWZWUSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-13-6-7-15-14(10-13)20(8-9-23-15)16(21)11-19-17(22)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22).
What are the key properties of N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide?
N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide has a molecular weight of 314.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 110742366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).