N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide

C17H14F3N3O2 — CID 126601507

IUPACN-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide
SMILESO=C(NO)C(Cc1ccccc1)n1cc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)13-7-6-12-10-23(21-14(12)9-13)15(16(24)22-25)8-11-4-2-1-3-5-11/h1-7,9-10,15,25H,8H2,(H,22,24)
InChIKeyNDLDQMDYJZEQMT-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.34
Rot. Bonds4

About N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide

N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide (PubChem CID 126601507) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide
PubChem CID126601507
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC NameN-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide
SMILESO=C(NO)C(Cc1ccccc1)n1cc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)13-7-6-12-10-23(21-14(12)9-13)15(16(24)22-25)8-11-4-2-1-3-5-11/h1-7,9-10,15,25H,8H2,(H,22,24)
InChIKeyNDLDQMDYJZEQMT-UHFFFAOYSA-N
XLogP3.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide?
The IUPAC name of N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide (CID 126601507) is N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide?
The canonical SMILES for N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide is O=C(NO)C(Cc1ccccc1)n1cc2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide?
The InChIKey is NDLDQMDYJZEQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)13-7-6-12-10-23(21-14(12)9-13)15(16(24)22-25)8-11-4-2-1-3-5-11/h1-7,9-10,15,25H,8H2,(H,22,24).
What are the key properties of N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide?
N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide has a molecular weight of 349.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-phenyl-2-[6-(trifluoromethyl)indazol-2-yl]propanamide is sourced from PubChem (CID 126601507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).