1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide

C24H22ClN3O2 — CID 53034345

IUPAC1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1
InChIInChI=1S/C24H22ClN3O2/c1-2-30-22-5-3-4-18(12-22)14-26-24(29)19-8-9-20-15-27-28(23(20)13-19)16-17-6-10-21(25)11-7-17/h3-13,15H,2,14,16H2,1H3,(H,26,29)
InChIKeyNKRNTMMWNBDFBG-UHFFFAOYSA-N
MW419.91 g/mol
LogP5.07
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 53034345) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID53034345
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1
InChIInChI=1S/C24H22ClN3O2/c1-2-30-22-5-3-4-18(12-22)14-26-24(29)19-8-9-20-15-27-28(23(20)13-19)16-17-6-10-21(25)11-7-17/h3-13,15H,2,14,16H2,1H3,(H,26,29)
InChIKeyNKRNTMMWNBDFBG-UHFFFAOYSA-N
XLogP5.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084622
N-[(3,4-diethoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
CID 53084727
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 53084695
1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
CID 53084776
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337
1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
CID 95073114
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 56920573

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide (CID 53034345) is 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide is CCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is NKRNTMMWNBDFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-2-30-22-5-3-4-18(12-22)14-26-24(29)19-8-9-20-15-27-28(23(20)13-19)16-17-6-10-21(25)11-7-17/h3-13,15H,2,14,16H2,1H3,(H,26,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 53034345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).