N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide

C24H21N5O2 — CID 55561337

IUPACN-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C24H21N5O2/c30-23(27-20-11-13-21(14-12-20)29-17-25-16-26-29)15-22(18-7-3-1-4-8-18)28-24(31)19-9-5-2-6-10-19/h1-14,16-17,22H,15H2,(H,27,30)(H,28,31)
InChIKeyHTLNZWKATJSTLO-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.77
Rot. Bonds7

About N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide

N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide (PubChem CID 55561337) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide
PubChem CID55561337
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C24H21N5O2/c30-23(27-20-11-13-21(14-12-20)29-17-25-16-26-29)15-22(18-7-3-1-4-8-18)28-24(31)19-9-5-2-6-10-19/h1-14,16-17,22H,15H2,(H,27,30)(H,28,31)
InChIKeyHTLNZWKATJSTLO-UHFFFAOYSA-N
XLogP3.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide (CID 55561337) is N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide?
The InChIKey is HTLNZWKATJSTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-23(27-20-11-13-21(14-12-20)29-17-25-16-26-29)15-22(18-7-3-1-4-8-18)28-24(31)19-9-5-2-6-10-19/h1-14,16-17,22H,15H2,(H,27,30)(H,28,31).
What are the key properties of N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide?
N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide has a molecular weight of 411.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide is sourced from PubChem (CID 55561337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).