2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide

C12H13BrN4O2 — CID 146144512

IUPAC2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide
SMILESCOCc1cn(C(C(N)=O)c2cccc(Br)c2)nn1
InChIInChI=1S/C12H13BrN4O2/c1-19-7-10-6-17(16-15-10)11(12(14)18)8-3-2-4-9(13)5-8/h2-6,11H,7H2,1H3,(H2,14,18)
InChIKeyHVTRTRMIAPPWLN-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.26
Rot. Bonds5

About 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide

2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide (PubChem CID 146144512) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide
PubChem CID146144512
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide
SMILESCOCc1cn(C(C(N)=O)c2cccc(Br)c2)nn1
InChIInChI=1S/C12H13BrN4O2/c1-19-7-10-6-17(16-15-10)11(12(14)18)8-3-2-4-9(13)5-8/h2-6,11H,7H2,1H3,(H2,14,18)
InChIKeyHVTRTRMIAPPWLN-UHFFFAOYSA-N
XLogP1.26
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2-fluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 146104009
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999
methyl (3S)-1-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 99850820
3-(3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869213
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
2-(4-bromopyrazol-1-yl)-2-phenylacetamide
CID 166495248
2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide
CID 120987982
methyl 3-(3-bromophenyl)-3-hydroxy-2-(hydroxymethyl)propanoate
CID 175574442
CID 172861742
CID 172861742
methyl 2-(3-bromophenyl)-2-cyanoacetate
CID 79017218
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
2-(3-bromophenyl)-2-(2-methoxyanilino)acetamide
CID 60995761

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide (CID 146144512) is 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide is COCc1cn(C(C(N)=O)c2cccc(Br)c2)nn1.
What is the InChIKey of 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide?
The InChIKey is HVTRTRMIAPPWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-19-7-10-6-17(16-15-10)11(12(14)18)8-3-2-4-9(13)5-8/h2-6,11H,7H2,1H3,(H2,14,18).
What are the key properties of 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide?
2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide has a molecular weight of 325.17 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[4-(methoxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 146144512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).