N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide

C16H12F2N2O4 — CID 18588725

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N2O4/c17-11-3-2-10(6-12(11)18)20-16(22)15(21)19-7-9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8H2,(H,19,21)(H,20,22)
InChIKeyQSFVFUXTQFEJGZ-UHFFFAOYSA-N
MW334.28 g/mol
LogP1.95
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide (PubChem CID 18588725) has the molecular formula C16H12F2N2O4 and a molecular weight of 334.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide
PubChem CID18588725
Molecular FormulaC16H12F2N2O4
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H12F2N2O4/c17-11-3-2-10(6-12(11)18)20-16(22)15(21)19-7-9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8H2,(H,19,21)(H,20,22)
InChIKeyQSFVFUXTQFEJGZ-UHFFFAOYSA-N
XLogP1.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-fluorophenyl)oxamide
CID 3136649
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999501
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-carbamoylphenyl)oxamide
CID 7584983
N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074
N'-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]oxamide
CID 2290813
3-(1,3-benzodioxol-5-ylmethylamino)-N-(3,4-difluorophenyl)propanamide
CID 109022867
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide
CID 4037055
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-cyanophenyl)oxamide
CID 108508533
[4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108508572
N'-(3-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 2989792
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985031
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2,3,5,6-tetrafluorophenyl)methyl]oxamide
CID 166184902

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide (CID 18588725) is N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide is O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide?
The InChIKey is QSFVFUXTQFEJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O4/c17-11-3-2-10(6-12(11)18)20-16(22)15(21)19-7-9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8H2,(H,19,21)(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide has a molecular weight of 334.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-(3,4-difluorophenyl)oxamide is sourced from PubChem (CID 18588725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).