2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide

C12H14BrN5O2 — CID 66269465

IUPAC2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide
SMILESNC(=O)C(Nc1ccc(Br)cc1)c1cn(CCO)nn1
InChIInChI=1S/C12H14BrN5O2/c13-8-1-3-9(4-2-8)15-11(12(14)20)10-7-18(5-6-19)17-16-10/h1-4,7,11,15,19H,5-6H2,(H2,14,20)
InChIKeySPIZWXHWIYGXTG-UHFFFAOYSA-N
MW340.18 g/mol
LogP0.67
Rot. Bonds6

About 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide

2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide (PubChem CID 66269465) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide
PubChem CID66269465
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide
SMILESNC(=O)C(Nc1ccc(Br)cc1)c1cn(CCO)nn1
InChIInChI=1S/C12H14BrN5O2/c13-8-1-3-9(4-2-8)15-11(12(14)20)10-7-18(5-6-19)17-16-10/h1-4,7,11,15,19H,5-6H2,(H2,14,20)
InChIKeySPIZWXHWIYGXTG-UHFFFAOYSA-N
XLogP0.67
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide?
The IUPAC name of 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide (CID 66269465) is 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide is NC(=O)C(Nc1ccc(Br)cc1)c1cn(CCO)nn1.
What is the InChIKey of 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide?
The InChIKey is SPIZWXHWIYGXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c13-8-1-3-9(4-2-8)15-11(12(14)20)10-7-18(5-6-19)17-16-10/h1-4,7,11,15,19H,5-6H2,(H2,14,20).
What are the key properties of 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide?
2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide has a molecular weight of 340.18 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetamide is sourced from PubChem (CID 66269465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).