N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide

C23H23N3O3 — CID 20887885

IUPACN-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-n2nc(C)c3c2CCCC3=O)cc1
InChIInChI=1S/C23H23N3O3/c1-15-22-19(7-5-8-20(22)27)26(25-15)18-12-10-16(11-13-18)23(28)24-14-17-6-3-4-9-21(17)29-2/h3-4,6,9-13H,5,7-8,14H2,1-2H3,(H,24,28)
InChIKeyVUZXFCLHOLKPHE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.64
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide

N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (PubChem CID 20887885) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
PubChem CID20887885
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-n2nc(C)c3c2CCCC3=O)cc1
InChIInChI=1S/C23H23N3O3/c1-15-22-19(7-5-8-20(22)27)26(25-15)18-12-10-16(11-13-18)23(28)24-14-17-6-3-4-9-21(17)29-2/h3-4,6,9-13H,5,7-8,14H2,1-2H3,(H,24,28)
InChIKeyVUZXFCLHOLKPHE-UHFFFAOYSA-N
XLogP3.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide (CID 20887885) is N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is COc1ccccc1CNC(=O)c1ccc(-n2nc(C)c3c2CCCC3=O)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
The InChIKey is VUZXFCLHOLKPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-22-19(7-5-8-20(22)27)26(25-15)18-12-10-16(11-13-18)23(28)24-14-17-6-3-4-9-21(17)29-2/h3-4,6,9-13H,5,7-8,14H2,1-2H3,(H,24,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide?
N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzamide is sourced from PubChem (CID 20887885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).