5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide

C13H14F2N2O3 — CID 107477915

IUPAC5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)N(CCO)CC(F)F)cc2c1
InChIInChI=1S/C13H14F2N2O3/c14-12(15)7-17(3-4-18)13(19)11-6-8-5-9(16)1-2-10(8)20-11/h1-2,5-6,12,18H,3-4,7,16H2
InChIKeyKXDDOLPPLOJJTK-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.71
Rot. Bonds5

About 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide (PubChem CID 107477915) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide
PubChem CID107477915
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)N(CCO)CC(F)F)cc2c1
InChIInChI=1S/C13H14F2N2O3/c14-12(15)7-17(3-4-18)13(19)11-6-8-5-9(16)1-2-10(8)20-11/h1-2,5-6,12,18H,3-4,7,16H2
InChIKeyKXDDOLPPLOJJTK-UHFFFAOYSA-N
XLogP1.71
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-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-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 107493354
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide
CID 107477906
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 61092833
5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 107482857
5-[[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 107481821
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63284227

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide (CID 107477915) is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide is Nc1ccc2oc(C(=O)N(CCO)CC(F)F)cc2c1.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide?
The InChIKey is KXDDOLPPLOJJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-12(15)7-17(3-4-18)13(19)11-6-8-5-9(16)1-2-10(8)20-11/h1-2,5-6,12,18H,3-4,7,16H2.
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide?
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide has a molecular weight of 284.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 107477915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).