N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide

C13H12F2N4O2 — CID 136569332

IUPACN-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCn1nnc(NC(=O)C2COc3ccccc32)c1C(F)F
InChIInChI=1S/C13H12F2N4O2/c1-19-10(11(14)15)12(17-18-19)16-13(20)8-6-21-9-5-3-2-4-7(8)9/h2-5,8,11H,6H2,1H3,(H,16,20)
InChIKeyWPYIKCJAZZIMTQ-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.87
Rot. Bonds3

About N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 136569332) has the molecular formula C13H12F2N4O2 and a molecular weight of 294.26 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID136569332
Molecular FormulaC13H12F2N4O2
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC NameN-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCn1nnc(NC(=O)C2COc3ccccc32)c1C(F)F
InChIInChI=1S/C13H12F2N4O2/c1-19-10(11(14)15)12(17-18-19)16-13(20)8-6-21-9-5-3-2-4-7(8)9/h2-5,8,11H,6H2,1H3,(H,16,20)
InChIKeyWPYIKCJAZZIMTQ-UHFFFAOYSA-N
XLogP1.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 136569332) is N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide is Cn1nnc(NC(=O)C2COc3ccccc32)c1C(F)F.
What is the InChIKey of N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is WPYIKCJAZZIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O2/c1-19-10(11(14)15)12(17-18-19)16-13(20)8-6-21-9-5-3-2-4-7(8)9/h2-5,8,11H,6H2,1H3,(H,16,20).
What are the key properties of N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 294.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-methyltriazol-4-yl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 136569332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).