N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide

C12H9ClN2O4 — CID 103807343

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1ccc(Cl)o1)OCO2
InChIInChI=1S/C12H9ClN2O4/c13-11-2-1-8(19-11)12(16)15-7-4-10-9(3-6(7)14)17-5-18-10/h1-4H,5,14H2,(H,15,16)
InChIKeyIDDKIDFAHPRIOK-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.50
Rot. Bonds2

About N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide

N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide (PubChem CID 103807343) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide
PubChem CID103807343
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)c1ccc(Cl)o1)OCO2
InChIInChI=1S/C12H9ClN2O4/c13-11-2-1-8(19-11)12(16)15-7-4-10-9(3-6(7)14)17-5-18-10/h1-4H,5,14H2,(H,15,16)
InChIKeyIDDKIDFAHPRIOK-UHFFFAOYSA-N
XLogP2.50
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.50
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-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-bromofuran-2-carboxamide
CID 43549100
N-(2-amino-4-hydroxyphenyl)-5-chlorofuran-2-carboxamide
CID 107697705
N-(2-amino-5-methoxyphenyl)-5-chlorofuran-2-carboxamide
CID 63258039
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 43548362
N-(6-amino-1,3-benzodioxol-5-yl)-2-bromobenzamide
CID 43548363
N-(6-amino-1,3-benzodioxol-5-yl)-5-fluoropyridine-2-carboxamide
CID 104638032
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-3-carboxamide;dihydrochloride
CID 75415042
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
CID 43703608
N-(6-amino-1,3-benzodioxol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 81483575
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 43548190

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide (CID 103807343) is N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide is Nc1cc2c(cc1NC(=O)c1ccc(Cl)o1)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide?
The InChIKey is IDDKIDFAHPRIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c13-11-2-1-8(19-11)12(16)15-7-4-10-9(3-6(7)14)17-5-18-10/h1-4H,5,14H2,(H,15,16).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide?
N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide has a molecular weight of 280.67 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 103807343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).