N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide

C12H12BrClN4O2 — CID 81444684

IUPACN-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCC(O)c1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1
InChIInChI=1S/C12H12BrClN4O2/c1-7(19)11-5-18(17-16-11)6-12(20)15-10-3-2-8(13)4-9(10)14/h2-5,7,19H,6H2,1H3,(H,15,20)
InChIKeyHPENRTCVVGQYED-UHFFFAOYSA-N
MW359.61 g/mol
LogP2.39
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide

N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 81444684) has the molecular formula C12H12BrClN4O2 and a molecular weight of 359.61 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID81444684
Molecular FormulaC12H12BrClN4O2
Molecular Weight359.61 g/mol
Exact Mass357.98
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
SMILESCC(O)c1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1
InChIInChI=1S/C12H12BrClN4O2/c1-7(19)11-5-18(17-16-11)6-12(20)15-10-3-2-8(13)4-9(10)14/h2-5,7,19H,6H2,1H3,(H,15,20)
InChIKeyHPENRTCVVGQYED-UHFFFAOYSA-N
XLogP2.39
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.61
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)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

1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62060401
N-(4-bromo-2-chlorophenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66193871
2-[4-(3-aminopropyl)triazol-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 106220930
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 80735511
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
CID 166188233
methyl N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]carbamate
CID 81443796
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66215979
N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742856
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 80742702
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 81436112

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide (CID 81444684) is N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is CC(O)c1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is HPENRTCVVGQYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O2/c1-7(19)11-5-18(17-16-11)6-12(20)15-10-3-2-8(13)4-9(10)14/h2-5,7,19H,6H2,1H3,(H,15,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 359.61 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 81444684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).