N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide

C25H20ClN3O2 — CID 166984699

IUPACN-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
SMILESO=C(NCCc1coc2ccccc12)c1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C25H20ClN3O2/c26-19-11-9-17(10-12-19)15-29-22-7-3-1-6-21(22)24(28-29)25(30)27-14-13-18-16-31-23-8-4-2-5-20(18)23/h1-12,16H,13-15H2,(H,27,30)
InChIKeySZHKQKAASXMALB-UHFFFAOYSA-N
MW429.91 g/mol
LogP5.46
Rot. Bonds6

About N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide

N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide (PubChem CID 166984699) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
PubChem CID166984699
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC NameN-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
SMILESO=C(NCCc1coc2ccccc12)c1nn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C25H20ClN3O2/c26-19-11-9-17(10-12-19)15-29-22-7-3-1-6-21(22)24(28-29)25(30)27-14-13-18-16-31-23-8-4-2-5-20(18)23/h1-12,16H,13-15H2,(H,27,30)
InChIKeySZHKQKAASXMALB-UHFFFAOYSA-N
XLogP5.46
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide (CID 166984699) is N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide is O=C(NCCc1coc2ccccc12)c1nn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
The InChIKey is SZHKQKAASXMALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c26-19-11-9-17(10-12-19)15-29-22-7-3-1-6-21(22)24(28-29)25(30)27-14-13-18-16-31-23-8-4-2-5-20(18)23/h1-12,16H,13-15H2,(H,27,30).
What are the key properties of N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 166984699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).