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

C26H28FN5O3 — CID 653611

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C26H28FN5O3/c1-4-26(2,3)28-25(34)24(19-11-5-6-12-20(19)27)31(16-18-10-9-15-35-18)23(33)17-32-22-14-8-7-13-21(22)29-30-32/h5-15,24H,4,16-17H2,1-3H3,(H,28,34)
InChIKeyIMZNMIUGRQGXNT-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.24
Rot. Bonds9

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

2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 653611) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID653611
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C26H28FN5O3/c1-4-26(2,3)28-25(34)24(19-11-5-6-12-20(19)27)31(16-18-10-9-15-35-18)23(33)17-32-22-14-8-7-13-21(22)29-30-32/h5-15,24H,4,16-17H2,1-3H3,(H,28,34)
InChIKeyIMZNMIUGRQGXNT-UHFFFAOYSA-N
XLogP4.24
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide (CID 653611) is 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is IMZNMIUGRQGXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-4-26(2,3)28-25(34)24(19-11-5-6-12-20(19)27)31(16-18-10-9-15-35-18)23(33)17-32-22-14-8-7-13-21(22)29-30-32/h5-15,24H,4,16-17H2,1-3H3,(H,28,34).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 477.54 g/mol, XLogP of 4.24, 9 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]-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 653611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).