N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide

C13H12N2O4 — CID 43548190

IUPACN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1ccco1)OCCO2
InChIInChI=1S/C13H12N2O4/c14-8-6-11-12(19-5-4-18-11)7-9(8)15-13(16)10-2-1-3-17-10/h1-3,6-7H,4-5,14H2,(H,15,16)
InChIKeyIDCXJYDPQMTOFD-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.89
Rot. Bonds2

About N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (PubChem CID 43548190) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
PubChem CID43548190
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1ccco1)OCCO2
InChIInChI=1S/C13H12N2O4/c14-8-6-11-12(19-5-4-18-11)7-9(8)15-13(16)10-2-1-3-17-10/h1-3,6-7H,4-5,14H2,(H,15,16)
InChIKeyIDCXJYDPQMTOFD-UHFFFAOYSA-N
XLogP1.89
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 46461915
N-[7-(1-hydroxybutyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide
CID 25250109
N-[7-[(1R)-1-hydroxybutyl]-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carboxamide
CID 28624133
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide
CID 43548158
3-amino-4-(furan-2-carbonylamino)benzoic acid
CID 63117282
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-bromofuran-2-carboxamide
CID 43549100
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
methyl 3-amino-4-(furan-2-carbonylamino)benzoate
CID 110481051
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-5-bromothiophene-2-carboxamide
CID 43548159
N-(4-aminonaphthalen-1-yl)furan-2-carboxamide
CID 54481080
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (CID 43548190) is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The canonical SMILES for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is Nc1cc2c(cc1NC(=O)c1ccco1)OCCO2.
What is the InChIKey of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The InChIKey is IDCXJYDPQMTOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c14-8-6-11-12(19-5-4-18-11)7-9(8)15-13(16)10-2-1-3-17-10/h1-3,6-7H,4-5,14H2,(H,15,16).
What are the key properties of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 43548190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).