N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C18H17FN2O4 — CID 27827538

IUPACN-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17FN2O4/c1-21(10-12-3-2-4-14(19)7-12)17(22)9-20-18(23)13-5-6-15-16(8-13)25-11-24-15/h2-8H,9-11H2,1H3,(H,20,23)
InChIKeyLVLALGSHQQAJJL-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.94
Rot. Bonds5

About N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 27827538) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID27827538
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H17FN2O4/c1-21(10-12-3-2-4-14(19)7-12)17(22)9-20-18(23)13-5-6-15-16(8-13)25-11-24-15/h2-8H,9-11H2,1H3,(H,20,23)
InChIKeyLVLALGSHQQAJJL-UHFFFAOYSA-N
XLogP1.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55557440
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 7535764
2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]-methylamino]acetic acid
CID 120513618
N-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18280620
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9119855
3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 78839008
N-[2-[1-(3-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17427302
N-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-oxoethyl]-2-chlorobenzamide
CID 30510147
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 8574101
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17486763

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 27827538) is N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is CN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LVLALGSHQQAJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-21(10-12-3-2-4-14(19)7-12)17(22)9-20-18(23)13-5-6-15-16(8-13)25-11-24-15/h2-8H,9-11H2,1H3,(H,20,23).
What are the key properties of N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 27827538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).