(E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide

C22H17N3O — CID 134139140

IUPAC(E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C22H17N3O/c26-21(14-13-16-7-2-1-3-8-16)23-18-10-6-9-17(15-18)22-19-11-4-5-12-20(19)24-25-22/h1-15H,(H,23,26)(H,24,25)/b14-13+
InChIKeyLSJGGLLKGGRGAT-BUHFOSPRSA-N
MW339.40 g/mol
LogP4.88
Rot. Bonds4

About (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide

(E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide (PubChem CID 134139140) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide
PubChem CID134139140
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name(E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C22H17N3O/c26-21(14-13-16-7-2-1-3-8-16)23-18-10-6-9-17(15-18)22-19-11-4-5-12-20(19)24-25-22/h1-15H,(H,23,26)(H,24,25)/b14-13+
InChIKeyLSJGGLLKGGRGAT-BUHFOSPRSA-N
XLogP4.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.88
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 (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide (CID 134139140) is (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cccc(-c2n[nH]c3ccccc23)c1.
What is the InChIKey of (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is LSJGGLLKGGRGAT-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H17N3O/c26-21(14-13-16-7-2-1-3-8-16)23-18-10-6-9-17(15-18)22-19-11-4-5-12-20(19)24-25-22/h1-15H,(H,23,26)(H,24,25)/b14-13+.
What are the key properties of (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 339.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(1H-indazol-3-yl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 134139140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).