N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide

C18H17FN2O4 — CID 102558213

IUPACN-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2O1
InChIInChI=1S/C18H17FN2O4/c1-11-8-21(14-4-2-12(19)6-16(14)25-11)9-18(22)20-13-3-5-15-17(7-13)24-10-23-15/h2-7,11H,8-10H2,1H3,(H,20,22)
InChIKeyXKVANNDJKHGSDL-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.78
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide (PubChem CID 102558213) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide
PubChem CID102558213
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2O1
InChIInChI=1S/C18H17FN2O4/c1-11-8-21(14-4-2-12(19)6-16(14)25-11)9-18(22)20-13-3-5-15-17(7-13)24-10-23-15/h2-7,11H,8-10H2,1H3,(H,20,22)
InChIKeyXKVANNDJKHGSDL-UHFFFAOYSA-N
XLogP2.78
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 71999678
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CID 92875295
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 46352677
N-(1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 51370128
2-(4-amino-3-methylpiperidin-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 79874642
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CID 43815899
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 115486420
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 7916017
N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenoxy)acetamide
CID 2709600
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 11940591

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide (CID 102558213) is N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide is CC1CN(CC(=O)Nc2ccc3c(c2)OCO3)c2ccc(F)cc2O1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is XKVANNDJKHGSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-11-8-21(14-4-2-12(19)6-16(14)25-11)9-18(22)20-13-3-5-15-17(7-13)24-10-23-15/h2-7,11H,8-10H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 344.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 102558213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).