N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide

C13H15ClN4O2 — CID 62400746

IUPACN-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)Cn1cc(CO)nn1
InChIInChI=1S/C13H15ClN4O2/c1-17(6-10-3-2-4-11(14)5-10)13(20)8-18-7-12(9-19)15-16-18/h2-5,7,19H,6,8-9H2,1H3
InChIKeyFYJZYGQHJSPTBX-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.08
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide

N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide (PubChem CID 62400746) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
PubChem CID62400746
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)Cn1cc(CO)nn1
InChIInChI=1S/C13H15ClN4O2/c1-17(6-10-3-2-4-11(14)5-10)13(20)8-18-7-12(9-19)15-16-18/h2-5,7,19H,6,8-9H2,1H3
InChIKeyFYJZYGQHJSPTBX-UHFFFAOYSA-N
XLogP1.08
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[(3-bromophenyl)methyl]-N-methylacetamide
CID 115459471
N-[2-(3-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399790
2-[4-(aminomethyl)triazol-1-yl]-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 115459306
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55067141
1-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324059
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62054458
N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 23724008
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62402251
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-tert-butylsulfanyl-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 78771093
N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 82202096
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 66216252

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide (CID 62400746) is N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide is CN(Cc1cccc(Cl)c1)C(=O)Cn1cc(CO)nn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide?
The InChIKey is FYJZYGQHJSPTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-17(6-10-3-2-4-11(14)5-10)13(20)8-18-7-12(9-19)15-16-18/h2-5,7,19H,6,8-9H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide?
N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide has a molecular weight of 294.74 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 62400746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).