N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide

C26H19FN2O6 — CID 43061970

IUPACN-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(NC(=O)c2occc2COc2ccccc2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H19FN2O6/c27-20-8-7-18(28-25(30)16-6-9-22-23(12-16)35-15-34-22)13-21(20)29-26(31)24-17(10-11-32-24)14-33-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,28,30)(H,29,31)
InChIKeySWJHEHCOHZPGAF-UHFFFAOYSA-N
MW474.44 g/mol
LogP5.23
Rot. Bonds7

About N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 43061970) has the molecular formula C26H19FN2O6 and a molecular weight of 474.44 g/mol. Its IUPAC name is N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID43061970
Molecular FormulaC26H19FN2O6
Molecular Weight474.44 g/mol
Exact Mass474.12
IUPAC NameN-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(NC(=O)c2occc2COc2ccccc2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H19FN2O6/c27-20-8-7-18(28-25(30)16-6-9-22-23(12-16)35-15-34-22)13-21(20)29-26(31)24-17(10-11-32-24)14-33-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,28,30)(H,29,31)
InChIKeySWJHEHCOHZPGAF-UHFFFAOYSA-N
XLogP5.23
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide 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

N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17493088
N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25400603
N-[4-fluoro-3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 35101594
1-N-(1,3-benzodioxol-5-yl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057439
N-(5-amino-2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16771364
methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate
CID 55750582
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55540200
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
N-(1,3-benzodioxol-5-yl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177269

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide (CID 43061970) is N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(F)c(NC(=O)c2occc2COc2ccccc2)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SWJHEHCOHZPGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O6/c27-20-8-7-18(28-25(30)16-6-9-22-23(12-16)35-15-34-22)13-21(20)29-26(31)24-17(10-11-32-24)14-33-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,28,30)(H,29,31).
What are the key properties of N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 43061970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).