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

C18H16F3N3O2 — CID 22319555

IUPACN-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIInChI=1S/C18H16F3N3O2/c1-2-3-16(25)22-17-14-9-6-12(10-15(14)23-24-17)11-4-7-13(8-5-11)26-18(19,20)21/h4-10H,2-3H2,1H3,(H2,22,23,24,25)
InChIKeyBAZMDWORPAMNJS-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.87
Rot. Bonds5

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

N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide (PubChem CID 22319555) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide
PubChem CID22319555
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIInChI=1S/C18H16F3N3O2/c1-2-3-16(25)22-17-14-9-6-12(10-15(14)23-24-17)11-4-7-13(8-5-11)26-18(19,20)21/h4-10H,2-3H2,1H3,(H2,22,23,24,25)
InChIKeyBAZMDWORPAMNJS-UHFFFAOYSA-N
XLogP4.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide (CID 22319555) is N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12.
What is the InChIKey of N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide?
The InChIKey is BAZMDWORPAMNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-2-3-16(25)22-17-14-9-6-12(10-15(14)23-24-17)11-4-7-13(8-5-11)26-18(19,20)21/h4-10H,2-3H2,1H3,(H2,22,23,24,25).
What are the key properties of N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide?
N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide has a molecular weight of 363.34 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).