2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide

C25H24FN5O4 — CID 2723137

IUPAC2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1
InChIInChI=1S/C25H24FN5O4/c1-34-18-11-12-21(23(13-18)35-2)27-24(32)15-30(14-17-7-3-4-8-19(17)26)25(33)16-31-22-10-6-5-9-20(22)28-29-31/h3-13H,14-16H2,1-2H3,(H,27,32)
InChIKeyQPUHEAJYPXNGPI-UHFFFAOYSA-N
MW477.50 g/mol
LogP3.26
Rot. Bonds9

About 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide

2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 2723137) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID2723137
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1
InChIInChI=1S/C25H24FN5O4/c1-34-18-11-12-21(23(13-18)35-2)27-24(32)15-30(14-17-7-3-4-8-19(17)26)25(33)16-31-22-10-6-5-9-20(22)28-29-31/h3-13H,14-16H2,1-2H3,(H,27,32)
InChIKeyQPUHEAJYPXNGPI-UHFFFAOYSA-N
XLogP3.26
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2722754
2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
CID 43820388
2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 43820390
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 43820447
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 43820472
2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(2,5-dimethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196026
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
CID 98102960
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-(4-chlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 1494909
2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196249
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]-N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 99649947
2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196213
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-2-(2,4-dimethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 98101142

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide (CID 2723137) is 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide is COc1ccc(NC(=O)CN(Cc2ccccc2F)C(=O)Cn2nnc3ccccc32)c(OC)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is QPUHEAJYPXNGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-34-18-11-12-21(23(13-18)35-2)27-24(32)15-30(14-17-7-3-4-8-19(17)26)25(33)16-31-22-10-6-5-9-20(22)28-29-31/h3-13H,14-16H2,1-2H3,(H,27,32).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 477.50 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2723137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).