N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide

C13H13N3O3 — CID 82344374

IUPACN-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(N)o2)cc1
InChIInChI=1S/C13H13N3O3/c1-8(17)15-9-2-4-10(5-3-9)16-13(18)11-6-7-12(14)19-11/h2-7H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyQTXDSTHLSALXRS-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.07
Rot. Bonds3

About N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide

N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide (PubChem CID 82344374) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
PubChem CID82344374
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(N)o2)cc1
InChIInChI=1S/C13H13N3O3/c1-8(17)15-9-2-4-10(5-3-9)16-13(18)11-6-7-12(14)19-11/h2-7H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyQTXDSTHLSALXRS-UHFFFAOYSA-N
XLogP2.07
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
CID 82344340
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
5-amino-N-(4-octylphenyl)furan-2-carboxamide
CID 142608726
N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
CID 155412686
5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
CID 82344339
5-amino-N-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 82344272
5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 82344274
N-(4-acetylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 84575705
N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide
CID 22612940
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 82344285

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide (CID 82344374) is N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(N)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide?
The InChIKey is QTXDSTHLSALXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8(17)15-9-2-4-10(5-3-9)16-13(18)11-6-7-12(14)19-11/h2-7H,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide?
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide is sourced from PubChem (CID 82344374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).