2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide

C18H17N5O2 — CID 141324902

IUPAC2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1Cc1cn(CC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C18H17N5O2/c19-18(25)16-9-5-4-6-13(16)10-15-11-23(22-21-15)12-17(24)20-14-7-2-1-3-8-14/h1-9,11H,10,12H2,(H2,19,25)(H,20,24)
InChIKeyBTLQBWIOKWSLCW-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.61
Rot. Bonds6

About 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide

2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide (PubChem CID 141324902) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide
PubChem CID141324902
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide
SMILESNC(=O)c1ccccc1Cc1cn(CC(=O)Nc2ccccc2)nn1
InChIInChI=1S/C18H17N5O2/c19-18(25)16-9-5-4-6-13(16)10-15-11-23(22-21-15)12-17(24)20-14-7-2-1-3-8-14/h1-9,11H,10,12H2,(H2,19,25)(H,20,24)
InChIKeyBTLQBWIOKWSLCW-UHFFFAOYSA-N
XLogP1.61
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-[4-[(2-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457975
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461336
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
2-[4-(2-aminoethyl)triazol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 116642022
N-phenyl-2-[4-[[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]triazol-1-yl]acetamide
CID 171391927
2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide
CID 155814179
2-[4-(2-aminoethyl)triazol-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 116642196
N-(4-chlorophenyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192540
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
2-[1-[2-(2-methylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461798

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide?
The IUPAC name of 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide (CID 141324902) is 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide.
What is the SMILES notation for 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide?
The canonical SMILES for 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide is NC(=O)c1ccccc1Cc1cn(CC(=O)Nc2ccccc2)nn1.
What is the InChIKey of 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide?
The InChIKey is BTLQBWIOKWSLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-18(25)16-9-5-4-6-13(16)10-15-11-23(22-21-15)12-17(24)20-14-7-2-1-3-8-14/h1-9,11H,10,12H2,(H2,19,25)(H,20,24).
What are the key properties of 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide?
2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide has a molecular weight of 335.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methyl]benzamide is sourced from PubChem (CID 141324902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).