1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide

C23H20N4O2 — CID 71588259

IUPAC1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cn3nc(C(N)=O)c4ccccc43)c2)cc1
InChIInChI=1S/C23H20N4O2/c1-15-9-11-17(12-10-15)23(29)25-18-6-4-5-16(13-18)14-27-20-8-3-2-7-19(20)21(26-27)22(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,29)
InChIKeyUZGGZULKRUXIBG-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.74
Rot. Bonds5

About 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide

1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide (PubChem CID 71588259) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide
PubChem CID71588259
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(Cn3nc(C(N)=O)c4ccccc43)c2)cc1
InChIInChI=1S/C23H20N4O2/c1-15-9-11-17(12-10-15)23(29)25-18-6-4-5-16(13-18)14-27-20-8-3-2-7-19(20)21(26-27)22(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,29)
InChIKeyUZGGZULKRUXIBG-UHFFFAOYSA-N
XLogP3.74
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide?
The IUPAC name of 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide (CID 71588259) is 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide?
The canonical SMILES for 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(Cn3nc(C(N)=O)c4ccccc43)c2)cc1.
What is the InChIKey of 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide?
The InChIKey is UZGGZULKRUXIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-9-11-17(12-10-15)23(29)25-18-6-4-5-16(13-18)14-27-20-8-3-2-7-19(20)21(26-27)22(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,29).
What are the key properties of 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide?
1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 71588259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).