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

C25H20N4O2 — CID 59341302

IUPACN-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C25H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-23(21)27-25(30)18-9-7-17(8-10-18)15-29-16-20-4-1-2-5-22(20)28-29/h1-14,16H,15,26H2,(H,27,30)
InChIKeySOHGQAPVHACXIY-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.18
Rot. Bonds5

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

N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide (PubChem CID 59341302) 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-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide
PubChem CID59341302
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C25H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-23(21)27-25(30)18-9-7-17(8-10-18)15-29-16-20-4-1-2-5-22(20)28-29/h1-14,16H,15,26H2,(H,27,30)
InChIKeySOHGQAPVHACXIY-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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Related Compounds

N-(2-aminophenyl)-2-benzylindazole-5-carboxamide
CID 86299757
N-[4-[[2-amino-5-(furan-2-yl)phenyl]carbamoyl]phenyl]-1H-benzimidazole-2-carboxamide
CID 90106495
N-[2-amino-5-(furan-2-yl)phenyl]-4-[1-(benzenesulfonylmethyl)triazol-4-yl]benzamide
CID 149188625
2-benzylindazole
CID 5045916
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
N-[2-amino-5-(6-fluoro-3-pyridinyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 69101495
N-(2-aminophenyl)-4-[(3-methylindazol-2-yl)methyl]benzamide
CID 24990408
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
2-[(4-fluorophenyl)methyl]indazole
CID 66772041
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 52692587
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide?
The IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide (CID 59341302) is N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide.
What is the SMILES notation for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide?
The canonical SMILES for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide is Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1.
What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide?
The InChIKey is SOHGQAPVHACXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-23(21)27-25(30)18-9-7-17(8-10-18)15-29-16-20-4-1-2-5-22(20)28-29/h1-14,16H,15,26H2,(H,27,30).
What are the key properties of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide?
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-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-2-ylmethyl)benzamide is sourced from PubChem (CID 59341302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).