N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide

C13H16ClN5O — CID 66214231

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
SMILESCNCc1cn(CC(=O)NCc2ccccc2Cl)nn1
InChIInChI=1S/C13H16ClN5O/c1-15-7-11-8-19(18-17-11)9-13(20)16-6-10-4-2-3-5-12(10)14/h2-5,8,15H,6-7,9H2,1H3,(H,16,20)
InChIKeyRYMBENHSMGKRDJ-UHFFFAOYSA-N
MW293.76 g/mol
LogP0.97
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide (PubChem CID 66214231) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
PubChem CID66214231
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
SMILESCNCc1cn(CC(=O)NCc2ccccc2Cl)nn1
InChIInChI=1S/C13H16ClN5O/c1-15-7-11-8-19(18-17-11)9-13(20)16-6-10-4-2-3-5-12(10)14/h2-5,8,15H,6-7,9H2,1H3,(H,16,20)
InChIKeyRYMBENHSMGKRDJ-UHFFFAOYSA-N
XLogP0.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522549
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
1-[1-[2-[(2-chlorophenyl)methoxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 62445319
N-(4-bromo-2-chlorophenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66193871
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 66193662
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[4-(aminomethyl)triazol-1-yl]-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738334
2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 66215249

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide (CID 66214231) is N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide is CNCc1cn(CC(=O)NCc2ccccc2Cl)nn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide?
The InChIKey is RYMBENHSMGKRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-15-7-11-8-19(18-17-11)9-13(20)16-6-10-4-2-3-5-12(10)14/h2-5,8,15H,6-7,9H2,1H3,(H,16,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide has a molecular weight of 293.76 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 66214231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).