2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide

C26H26FN5O4 — CID 649285

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(NCc1ccco1)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C26H26FN5O4/c27-19-11-9-18(10-12-19)25(26(34)28-15-20-5-3-13-35-20)31(16-21-6-4-14-36-21)24(33)17-32-23-8-2-1-7-22(23)29-30-32/h1-3,5,7-13,21,25H,4,6,14-17H2,(H,28,34)
InChIKeyRLERATGWJCWWDY-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.23
Rot. Bonds9

About 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 649285) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID649285
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(NCc1ccco1)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C26H26FN5O4/c27-19-11-9-18(10-12-19)25(26(34)28-15-20-5-3-13-35-20)31(16-21-6-4-14-36-21)24(33)17-32-23-8-2-1-7-22(23)29-30-32/h1-3,5,7-13,21,25H,4,6,14-17H2,(H,28,34)
InChIKeyRLERATGWJCWWDY-UHFFFAOYSA-N
XLogP3.23
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide 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-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide (CID 649285) is 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide is O=C(NCc1ccco1)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RLERATGWJCWWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c27-19-11-9-18(10-12-19)25(26(34)28-15-20-5-3-13-35-20)31(16-21-6-4-14-36-21)24(33)17-32-23-8-2-1-7-22(23)29-30-32/h1-3,5,7-13,21,25H,4,6,14-17H2,(H,28,34).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 491.52 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 649285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).