1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide

C21H14ClN3O2 — CID 56663146

IUPAC1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C21H14ClN3O2/c22-15-8-6-7-14(13-15)21(27)25-18-12-5-4-11-17(18)19(24-25)20(26)23-16-9-2-1-3-10-16/h1-13H,(H,23,26)
InChIKeyVKZQINCGMKVMLX-UHFFFAOYSA-N
MW375.82 g/mol
LogP4.63
Rot. Bonds3

About 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide

1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide (PubChem CID 56663146) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide
PubChem CID56663146
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C21H14ClN3O2/c22-15-8-6-7-14(13-15)21(27)25-18-12-5-4-11-17(18)19(24-25)20(26)23-16-9-2-1-3-10-16/h1-13H,(H,23,26)
InChIKeyVKZQINCGMKVMLX-UHFFFAOYSA-N
XLogP4.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-2-Amino-2-oxo-1-(phenylmethyl)ethyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 44206137
N-Phenyl-1H-indazole-3-carboxamide
CID 9341021
N-(1-Methyl-1-phenylethyl)-1-pentyl-1H-indazole-3-carboxamide
CID 86273676
1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide
CID 165416442
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259651
1-benzoyl-1H-indazole-3-carboxamide
CID 71818550
N-(2-chloro-6-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 130229801
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-difluorophenyl)indazole-3-carboxamide
CID 130229976
1-[(2,4-dichlorophenyl)methyl]-N-(2-fluorophenyl)indazole-3-carboxamide
CID 130230203
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299573
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299645

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide (CID 56663146) is 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(C(=O)c2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide?
The InChIKey is VKZQINCGMKVMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-15-8-6-7-14(13-15)21(27)25-18-12-5-4-11-17(18)19(24-25)20(26)23-16-9-2-1-3-10-16/h1-13H,(H,23,26).
What are the key properties of 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide?
1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56663146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).