1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide

C21H14F2N2O4 — CID 109057767

IUPAC1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C21H14F2N2O4/c22-14-4-6-17(16(23)9-14)25-21(27)13-3-1-2-12(8-13)20(26)24-15-5-7-18-19(10-15)29-11-28-18/h1-10H,11H2,(H,24,26)(H,25,27)
InChIKeyNWUWRHHTHDBOHF-UHFFFAOYSA-N
MW396.35 g/mol
LogP4.20
Rot. Bonds4

About 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide

1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109057767) has the molecular formula C21H14F2N2O4 and a molecular weight of 396.35 g/mol. Its IUPAC name is 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109057767
Molecular FormulaC21H14F2N2O4
Molecular Weight396.35 g/mol
Exact Mass396.09
IUPAC Name1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C21H14F2N2O4/c22-14-4-6-17(16(23)9-14)25-21(27)13-3-1-2-12(8-13)20(26)24-15-5-7-18-19(10-15)29-11-28-18/h1-10H,11H2,(H,24,26)(H,25,27)
InChIKeyNWUWRHHTHDBOHF-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(1,3-benzodioxol-5-yl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057439
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
3-N-(1,3-benzodioxol-5-yl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054717
N-(1,3-benzodioxol-5-yl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109246164
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
CID 26070603
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109054904
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-[4-fluoro-3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 35101594
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057769
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide (CID 109057767) is 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cccc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is NWUWRHHTHDBOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O4/c22-14-4-6-17(16(23)9-14)25-21(27)13-3-1-2-12(8-13)20(26)24-15-5-7-18-19(10-15)29-11-28-18/h1-10H,11H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide?
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 396.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).