N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide

C17H16ClN3O — CID 22319604

IUPACN-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)
InChIKeyWGVVIVGNBSSANI-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.62
Rot. Bonds4

About N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide

N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide (PubChem CID 22319604) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
PubChem CID22319604
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22)
InChIKeyWGVVIVGNBSSANI-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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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide?
The IUPAC name of N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide (CID 22319604) is N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide.
What is the SMILES notation for N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide?
The canonical SMILES for N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide?
The InChIKey is WGVVIVGNBSSANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-2-6-16(22)19-17-13-9-12(11-7-4-3-5-8-11)14(18)10-15(13)20-21-17/h3-5,7-10H,2,6H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide?
N-(6-chloro-5-phenyl-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-chloro-5-phenyl-1H-indazol-3-yl)butanamide is sourced from PubChem (CID 22319604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).