N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide

C24H21ClN4O2 — CID 166984855

IUPACN-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C24H21ClN4O2/c1-16(30)27-20-6-4-5-18(13-20)14-26-24(31)23-21-7-2-3-8-22(21)29(28-23)15-17-9-11-19(25)12-10-17/h2-13H,14-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyVTUUHRAIEQMBQM-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.63
Rot. Bonds6

About N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide

N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide (PubChem CID 166984855) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
PubChem CID166984855
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)c1
InChIInChI=1S/C24H21ClN4O2/c1-16(30)27-20-6-4-5-18(13-20)14-26-24(31)23-21-7-2-3-8-22(21)29(28-23)15-17-9-11-19(25)12-10-17/h2-13H,14-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyVTUUHRAIEQMBQM-UHFFFAOYSA-N
XLogP4.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(1-methyl-2-oxo-4-pyridinyl)methyl]indazole-3-carboxamide
CID 166984539
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166985037
1-[(4-chlorophenyl)methyl]-N-[(2-methylindazol-6-yl)methyl]indazole-3-carboxamide
CID 166984544
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
1-[(4-chlorophenyl)methyl]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)indazole-3-carboxamide
CID 166984538
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
N-[2-(1-benzofuran-3-yl)ethyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984699
1-[(4-chlorophenyl)methyl]-N-[2-(4-propan-2-yltriazol-1-yl)ethyl]indazole-3-carboxamide
CID 166984837
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 55688771
1-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-(4-methylphenyl)indazole-3-carboxamide
CID 68639909

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide (CID 166984855) is N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide is CC(=O)Nc1cccc(CNC(=O)c2nn(Cc3ccc(Cl)cc3)c3ccccc23)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
The InChIKey is VTUUHRAIEQMBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-16(30)27-20-6-4-5-18(13-20)14-26-24(31)23-21-7-2-3-8-22(21)29(28-23)15-17-9-11-19(25)12-10-17/h2-13H,14-15H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide?
N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 166984855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).