N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide

C16H12FN3O — CID 164617074

IUPACN-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1-c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C16H12FN3O/c1-2-15(21)18-13-6-4-3-5-11(13)16-12-8-7-10(17)9-14(12)19-20-16/h2-9H,1H2,(H,18,21)(H,19,20)
InChIKeyNDYQAXYXNYMPFL-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.49
Rot. Bonds3

About N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide

N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide (PubChem CID 164617074) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide
PubChem CID164617074
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC NameN-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1-c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C16H12FN3O/c1-2-15(21)18-13-6-4-3-5-11(13)16-12-8-7-10(17)9-14(12)19-20-16/h2-9H,1H2,(H,18,21)(H,19,20)
InChIKeyNDYQAXYXNYMPFL-UHFFFAOYSA-N
XLogP3.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide (CID 164617074) is N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1-c1n[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide?
The InChIKey is NDYQAXYXNYMPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-2-15(21)18-13-6-4-3-5-11(13)16-12-8-7-10(17)9-14(12)19-20-16/h2-9H,1H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide?
N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide has a molecular weight of 281.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 164617074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).