2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide

C19H17N5O4 — CID 155814179

IUPAC2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Cn1cc(COc2ccc(C=O)cc2)nn1
InChIInChI=1S/C19H17N5O4/c20-19(27)16-3-1-2-4-17(16)21-18(26)10-24-9-14(22-23-24)12-28-15-7-5-13(11-25)6-8-15/h1-9,11H,10,12H2,(H2,20,27)(H,21,26)
InChIKeyJQPWWPUONUGVPV-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.41
Rot. Bonds8

About 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide

2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide (PubChem CID 155814179) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide
PubChem CID155814179
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Cn1cc(COc2ccc(C=O)cc2)nn1
InChIInChI=1S/C19H17N5O4/c20-19(27)16-3-1-2-4-17(16)21-18(26)10-24-9-14(22-23-24)12-28-15-7-5-13(11-25)6-8-15/h1-9,11H,10,12H2,(H2,20,27)(H,21,26)
InChIKeyJQPWWPUONUGVPV-UHFFFAOYSA-N
XLogP1.41
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-[4-[[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]triazol-1-yl]acetamide
CID 171391927
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide
CID 162642849
5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid
CID 11525657
N-(4-chlorophenyl)-2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]acetamide
CID 162675638
2-[4-[(2-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457975
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide
CID 100830958
2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]-N-phenylacetamide
CID 162648543
2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide
CID 141324902
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(ethoxymethyl)phenyl]acetamide
CID 115459058
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 100830214

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide (CID 155814179) is 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)Cn1cc(COc2ccc(C=O)cc2)nn1.
What is the InChIKey of 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide?
The InChIKey is JQPWWPUONUGVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c20-19(27)16-3-1-2-4-17(16)21-18(26)10-24-9-14(22-23-24)12-28-15-7-5-13(11-25)6-8-15/h1-9,11H,10,12H2,(H2,20,27)(H,21,26).
What are the key properties of 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide?
2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide has a molecular weight of 379.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 155814179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).