N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide

C17H16ClN3O — CID 22319587

IUPACN-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C17H16ClN3O/c1-2-3-16(22)19-17-14-9-6-12(10-15(14)20-21-17)11-4-7-13(18)8-5-11/h4-10H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyAMHTXZYACHSBPO-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.62
Rot. Bonds4

About N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide

N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319587) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319587
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C17H16ClN3O/c1-2-3-16(22)19-17-14-9-6-12(10-15(14)20-21-17)11-4-7-13(18)8-5-11/h4-10H,2-3H2,1H3,(H2,19,20,21,22)
InChIKeyAMHTXZYACHSBPO-UHFFFAOYSA-N
XLogP4.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(4-chlorophenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
CID 162667220
N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
CID 22319566
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
CID 69065883
N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
CID 135848037
[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69060604
2-(4-chlorophenoxy)-N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]acetamide
CID 69069808
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]-2-methoxyacetamide
CID 69059474
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]acetamide
CID 69065402
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
2-cyclopentyl-N-[6-(4-methylphenyl)-1H-indazol-3-yl]acetamide
CID 69061785
N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]pentanamide
CID 53197925
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
CID 162674603

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide (CID 22319587) is N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(Cl)cc3)ccc12.
What is the InChIKey of N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is AMHTXZYACHSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-2-3-16(22)19-17-14-9-6-12(10-15(14)20-21-17)11-4-7-13(18)8-5-11/h4-10H,2-3H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide?
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 313.79 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).