N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide

C17H17N5O — CID 84590765

IUPACN-(2-anilinoethyl)-3-(triazol-1-yl)benzamide
SMILESO=C(NCCNc1ccccc1)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C17H17N5O/c23-17(19-10-9-18-15-6-2-1-3-7-15)14-5-4-8-16(13-14)22-12-11-20-21-22/h1-8,11-13,18H,9-10H2,(H,19,23)
InChIKeyNGYXCSDDPHPHJV-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.11
Rot. Bonds6

About N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide

N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide (PubChem CID 84590765) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-anilinoethyl)-3-(triazol-1-yl)benzamide
PubChem CID84590765
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(2-anilinoethyl)-3-(triazol-1-yl)benzamide
SMILESO=C(NCCNc1ccccc1)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C17H17N5O/c23-17(19-10-9-18-15-6-2-1-3-7-15)14-5-4-8-16(13-14)22-12-11-20-21-22/h1-8,11-13,18H,9-10H2,(H,19,23)
InChIKeyNGYXCSDDPHPHJV-UHFFFAOYSA-N
XLogP2.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide?
The IUPAC name of N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide (CID 84590765) is N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide?
The canonical SMILES for N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide is O=C(NCCNc1ccccc1)c1cccc(-n2ccnn2)c1.
What is the InChIKey of N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide?
The InChIKey is NGYXCSDDPHPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(19-10-9-18-15-6-2-1-3-7-15)14-5-4-8-16(13-14)22-12-11-20-21-22/h1-8,11-13,18H,9-10H2,(H,19,23).
What are the key properties of N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide?
N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide has a molecular weight of 307.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide is sourced from PubChem (CID 84590765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).