N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide

C17H15ClFN3O — CID 22319674

IUPACN-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(F)cc3)cc12
InChIInChI=1S/C17H15ClFN3O/c1-2-3-16(23)20-17-13-8-12(10-4-6-11(19)7-5-10)14(18)9-15(13)21-22-17/h4-9H,2-3H2,1H3,(H2,20,21,22,23)
InChIKeyNJIZXSCJRDEYGO-UHFFFAOYSA-N
MW331.78 g/mol
LogP4.76
Rot. Bonds4

About N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide

N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319674) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319674
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC NameN-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(F)cc3)cc12
InChIInChI=1S/C17H15ClFN3O/c1-2-3-16(23)20-17-13-8-12(10-4-6-11(19)7-5-10)14(18)9-15(13)21-22-17/h4-9H,2-3H2,1H3,(H2,20,21,22,23)
InChIKeyNJIZXSCJRDEYGO-UHFFFAOYSA-N
XLogP4.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 54.76
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-(4-fluorophenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide (CID 22319674) is N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(F)cc3)cc12.
What is the InChIKey of N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is NJIZXSCJRDEYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c1-2-3-16(23)20-17-13-8-12(10-4-6-11(19)7-5-10)14(18)9-15(13)21-22-17/h4-9H,2-3H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide?
N-[6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 331.78 g/mol, XLogP of 4.76, 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-(4-fluorophenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).