N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide

C18H19N5O2 — CID 71972945

IUPACN-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCc2ncnn2C)cc1
InChIInChI=1S/C18H19N5O2/c1-23-17(20-12-21-23)11-19-16-6-4-3-5-15(16)18(24)22-13-7-9-14(25-2)10-8-13/h3-10,12,19H,11H2,1-2H3,(H,22,24)
InChIKeyUUZMHZWMKLUXQW-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.69
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide

N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide (PubChem CID 71972945) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
PubChem CID71972945
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCc2ncnn2C)cc1
InChIInChI=1S/C18H19N5O2/c1-23-17(20-12-21-23)11-19-16-6-4-3-5-15(16)18(24)22-13-7-9-14(25-2)10-8-13/h3-10,12,19H,11H2,1-2H3,(H,22,24)
InChIKeyUUZMHZWMKLUXQW-UHFFFAOYSA-N
XLogP2.69
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide (CID 71972945) is N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide is COc1ccc(NC(=O)c2ccccc2NCc2ncnn2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide?
The InChIKey is UUZMHZWMKLUXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23-17(20-12-21-23)11-19-16-6-4-3-5-15(16)18(24)22-13-7-9-14(25-2)10-8-13/h3-10,12,19H,11H2,1-2H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide?
N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide is sourced from PubChem (CID 71972945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).