N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide

C17H15Cl2N3O — CID 22319691

IUPACN-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3cc(Cl)cc(Cl)c3)ccc12
InChIInChI=1S/C17H15Cl2N3O/c1-2-3-16(23)20-17-14-5-4-10(8-15(14)21-22-17)11-6-12(18)9-13(19)7-11/h4-9H,2-3H2,1H3,(H2,20,21,22,23)
InChIKeyUOMYOKGRZMGKPR-UHFFFAOYSA-N
MW348.23 g/mol
LogP5.28
Rot. Bonds4

About N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide

N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319691) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319691
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC NameN-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3cc(Cl)cc(Cl)c3)ccc12
InChIInChI=1S/C17H15Cl2N3O/c1-2-3-16(23)20-17-14-5-4-10(8-15(14)21-22-17)11-6-12(18)9-13(19)7-11/h4-9H,2-3H2,1H3,(H2,20,21,22,23)
InChIKeyUOMYOKGRZMGKPR-UHFFFAOYSA-N
XLogP5.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide (CID 22319691) is N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3cc(Cl)cc(Cl)c3)ccc12.
What is the InChIKey of N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is UOMYOKGRZMGKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-2-3-16(23)20-17-14-5-4-10(8-15(14)21-22-17)11-6-12(18)9-13(19)7-11/h4-9H,2-3H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide?
N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 348.23 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dichlorophenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).