N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide

C18H17N3O — CID 142208930

IUPACN-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
SMILESC/C=C(\C)c1n[nH]c2ccc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C18H17N3O/c1-3-12(2)17-15-11-14(9-10-16(15)20-21-17)19-18(22)13-7-5-4-6-8-13/h3-11H,1-2H3,(H,19,22)(H,20,21)/b12-3+
InChIKeyXEFRJPCNRSFXIH-KGVSQERTSA-N
MW291.35 g/mol
LogP4.24
Rot. Bonds3

About N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide

N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide (PubChem CID 142208930) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
PubChem CID142208930
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
SMILESC/C=C(\C)c1n[nH]c2ccc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C18H17N3O/c1-3-12(2)17-15-11-14(9-10-16(15)20-21-17)19-18(22)13-7-5-4-6-8-13/h3-11H,1-2H3,(H,19,22)(H,20,21)/b12-3+
InChIKeyXEFRJPCNRSFXIH-KGVSQERTSA-N
XLogP4.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide?
The IUPAC name of N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide (CID 142208930) is N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide.
What is the SMILES notation for N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide?
The canonical SMILES for N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide is C/C=C(\C)c1n[nH]c2ccc(NC(=O)c3ccccc3)cc12.
What is the InChIKey of N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide?
The InChIKey is XEFRJPCNRSFXIH-KGVSQERTSA-N. The full InChI is InChI=1S/C18H17N3O/c1-3-12(2)17-15-11-14(9-10-16(15)20-21-17)19-18(22)13-7-5-4-6-8-13/h3-11H,1-2H3,(H,19,22)(H,20,21)/b12-3+.
What are the key properties of N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide?
N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide is sourced from PubChem (CID 142208930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).