N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide

C23H18N4O2 — CID 170857497

IUPACN-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N\c2ccccc2C(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C23H18N4O2/c1-15(28)25-17-12-10-16(11-13-17)14-24-20-8-4-3-7-19(20)23(29)22-18-6-2-5-9-21(18)26-27-22/h2-14H,1H3,(H,25,28)(H,26,27)/b24-14-
InChIKeyDMXYEMZMAHYIPV-OYKKKHCWSA-N
MW382.42 g/mol
LogP4.50
Rot. Bonds5

About N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide

N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide (PubChem CID 170857497) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide
PubChem CID170857497
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N\c2ccccc2C(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C23H18N4O2/c1-15(28)25-17-12-10-16(11-13-17)14-24-20-8-4-3-7-19(20)23(29)22-18-6-2-5-9-21(18)26-27-22/h2-14H,1H3,(H,25,28)(H,26,27)/b24-14-
InChIKeyDMXYEMZMAHYIPV-OYKKKHCWSA-N
XLogP4.50
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide (CID 170857497) is N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=N\c2ccccc2C(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide?
The InChIKey is DMXYEMZMAHYIPV-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-15(28)25-17-12-10-16(11-13-17)14-24-20-8-4-3-7-19(20)23(29)22-18-6-2-5-9-21(18)26-27-22/h2-14H,1H3,(H,25,28)(H,26,27)/b24-14-.
What are the key properties of N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide?
N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1H-indazole-3-carbonyl)phenyl]iminomethyl]phenyl]acetamide is sourced from PubChem (CID 170857497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).