N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide

C25H20N4O2 — CID 59341305

IUPACN-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2ncc3ccccc32)cc1
InChIInChI=1S/C25H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-22(21)28-25(30)18-9-7-17(8-10-18)16-29-23-5-2-1-4-20(23)15-27-29/h1-15H,16,26H2,(H,28,30)
InChIKeyPCQKPEBRROSDGA-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.18
Rot. Bonds5

About N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide

N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide (PubChem CID 59341305) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide
PubChem CID59341305
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2ncc3ccccc32)cc1
InChIInChI=1S/C25H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-22(21)28-25(30)18-9-7-17(8-10-18)16-29-23-5-2-1-4-20(23)15-27-29/h1-15H,16,26H2,(H,28,30)
InChIKeyPCQKPEBRROSDGA-UHFFFAOYSA-N
XLogP5.18
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide (CID 59341305) is N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide is Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2ncc3ccccc32)cc1.
What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide?
The InChIKey is PCQKPEBRROSDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-22(21)28-25(30)18-9-7-17(8-10-18)16-29-23-5-2-1-4-20(23)15-27-29/h1-15H,16,26H2,(H,28,30).
What are the key properties of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide?
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide has a molecular weight of 408.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide is sourced from PubChem (CID 59341305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).