N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide

C19H16N2O4 — CID 112982779

IUPACN-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccc3c(c2)OCO3)cc1)c1ccco1
InChIInChI=1S/C19H16N2O4/c22-19(17-2-1-9-23-17)21-15-6-4-14(5-7-15)20-11-13-3-8-16-18(10-13)25-12-24-16/h1-10,20H,11-12H2,(H,21,22)
InChIKeyZWDXEQGDJRYKET-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.87
Rot. Bonds5

About N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide

N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide (PubChem CID 112982779) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
PubChem CID112982779
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccc3c(c2)OCO3)cc1)c1ccco1
InChIInChI=1S/C19H16N2O4/c22-19(17-2-1-9-23-17)21-15-6-4-14(5-7-15)20-11-13-3-8-16-18(10-13)25-12-24-16/h1-10,20H,11-12H2,(H,21,22)
InChIKeyZWDXEQGDJRYKET-UHFFFAOYSA-N
XLogP3.87
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 9273872
N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide
CID 110866090
N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112981821
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
CID 112982804
N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319045
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55822667
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982174
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004
N-(4-acetylphenyl)-4-(1,3-benzodioxol-5-ylmethylamino)pyridine-2-carboxamide
CID 109212473
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyrimidine-4-carboxamide
CID 109306598

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide (CID 112982779) is N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide is O=C(Nc1ccc(NCc2ccc3c(c2)OCO3)cc1)c1ccco1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide?
The InChIKey is ZWDXEQGDJRYKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-19(17-2-1-9-23-17)21-15-6-4-14(5-7-15)20-11-13-3-8-16-18(10-13)25-12-24-16/h1-10,20H,11-12H2,(H,21,22).
What are the key properties of N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide?
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 112982779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).