2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

C22H18N4O2 — CID 55566637

IUPAC2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1ccccc1COc1ccccc1
InChIInChI=1S/C22H18N4O2/c27-22(25-18-10-12-19(13-11-18)26-16-23-15-24-26)21-9-5-4-6-17(21)14-28-20-7-2-1-3-8-20/h1-13,15-16H,14H2,(H,25,27)
InChIKeyIPCLYDSBZUEADQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.10
Rot. Bonds6

About 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 55566637) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID55566637
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1ccccc1COc1ccccc1
InChIInChI=1S/C22H18N4O2/c27-22(25-18-10-12-19(13-11-18)26-16-23-15-24-26)21-9-5-4-6-17(21)14-28-20-7-2-1-3-8-20/h1-13,15-16H,14H2,(H,25,27)
InChIKeyIPCLYDSBZUEADQ-UHFFFAOYSA-N
XLogP4.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55670767
2-(phenoxymethyl)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24676056
3,5-dimethoxy-4-phenylmethoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121031
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55567210
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenoxymethyl)benzamide
CID 29357190
2-(phenoxymethyl)-N-(3-sulfamoylphenyl)benzamide
CID 24854768
2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 55608786
(2R)-2-[[(2R)-2-phenylpropyl]amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 100686756
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide
CID 24676287
N-(3-chloro-4-methoxyphenyl)-2-(phenoxymethyl)benzamide
CID 17428367

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 55566637) is 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cncn2)cc1)c1ccccc1COc1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is IPCLYDSBZUEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-22(25-18-10-12-19(13-11-18)26-16-23-15-24-26)21-9-5-4-6-17(21)14-28-20-7-2-1-3-8-20/h1-13,15-16H,14H2,(H,25,27).
What are the key properties of 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55566637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).