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

C27H28FN5O3 — CID 650168

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C27H28FN5O3/c28-22-13-5-4-12-21(22)26(27(35)29-19-9-2-1-3-10-19)32(17-20-11-8-16-36-20)25(34)18-33-24-15-7-6-14-23(24)30-31-33/h4-8,11-16,19,26H,1-3,9-10,17-18H2,(H,29,35)
InChIKeyYCQRDFYHFNERSC-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.38
Rot. Bonds8

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

2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide (PubChem CID 650168) has the molecular formula C27H28FN5O3 and a molecular weight of 489.55 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
PubChem CID650168
Molecular FormulaC27H28FN5O3
Molecular Weight489.55 g/mol
Exact Mass489.22
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C27H28FN5O3/c28-22-13-5-4-12-21(22)26(27(35)29-19-9-2-1-3-10-19)32(17-20-11-8-16-36-20)25(34)18-33-24-15-7-6-14-23(24)30-31-33/h4-8,11-16,19,26H,1-3,9-10,17-18H2,(H,29,35)
InChIKeyYCQRDFYHFNERSC-UHFFFAOYSA-N
XLogP4.38
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)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]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide (CID 650168) is 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide is O=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
The InChIKey is YCQRDFYHFNERSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O3/c28-22-13-5-4-12-21(22)26(27(35)29-19-9-2-1-3-10-19)32(17-20-11-8-16-36-20)25(34)18-33-24-15-7-6-14-23(24)30-31-33/h4-8,11-16,19,26H,1-3,9-10,17-18H2,(H,29,35).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide has a molecular weight of 489.55 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 650168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).