2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide

C15H19BrN4O2 — CID 67606784

IUPAC2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc2c(nnn2CC2CC2)c1Br
InChIInChI=1S/C15H19BrN4O2/c1-9(2)17-13(21)8-22-12-6-5-11-15(14(12)16)18-19-20(11)7-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21)
InChIKeyTWJMTNLOMLRMAE-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide

2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide (PubChem CID 67606784) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide
PubChem CID67606784
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc2c(nnn2CC2CC2)c1Br
InChIInChI=1S/C15H19BrN4O2/c1-9(2)17-13(21)8-22-12-6-5-11-15(14(12)16)18-19-20(11)7-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21)
InChIKeyTWJMTNLOMLRMAE-UHFFFAOYSA-N
XLogP2.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide (CID 67606784) is 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc2c(nnn2CC2CC2)c1Br.
What is the InChIKey of 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide?
The InChIKey is TWJMTNLOMLRMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2/c1-9(2)17-13(21)8-22-12-6-5-11-15(14(12)16)18-19-20(11)7-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21).
What are the key properties of 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide?
2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide has a molecular weight of 367.25 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 67606784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).