2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide

C25H24FN5O3 — CID 3212119

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C(c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C25H24FN5O3/c1-34-16-15-27-25(33)24(19-11-5-6-12-20(19)26)31(18-9-3-2-4-10-18)23(32)17-30-22-14-8-7-13-21(22)28-29-30/h2-14,24H,15-17H2,1H3,(H,27,33)
InChIKeyDSXLLOFGQDATCD-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.11
Rot. Bonds9

About 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide (PubChem CID 3212119) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide
PubChem CID3212119
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)C(c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C25H24FN5O3/c1-34-16-15-27-25(33)24(19-11-5-6-12-20(19)26)31(18-9-3-2-4-10-18)23(32)17-30-22-14-8-7-13-21(22)28-29-30/h2-14,24H,15-17H2,1H3,(H,27,33)
InChIKeyDSXLLOFGQDATCD-UHFFFAOYSA-N
XLogP3.11
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethylanilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 3212105
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-chloroanilino)-N-(2-methoxyethyl)-2-phenylacetamide
CID 3212027
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 3212156
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide
CID 3212165
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methylanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
CID 3212069
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethylanilino)-N-(2-methoxyethyl)-2-phenylacetamide
CID 3212017
2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 3212117
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 3211894
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)acetamide
CID 3778212
methyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]amino]benzoate
CID 3197904
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-(2-methoxyethyl)-2-(2-methylphenyl)acetamide
CID 3212059
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-ethoxyanilino)-N-tert-butyl-2-(2-fluorophenyl)acetamide
CID 3195443

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide (CID 3212119) is 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)C(c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is DSXLLOFGQDATCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-34-16-15-27-25(33)24(19-11-5-6-12-20(19)26)31(18-9-3-2-4-10-18)23(32)17-30-22-14-8-7-13-21(22)28-29-30/h2-14,24H,15-17H2,1H3,(H,27,33).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 461.50 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3212119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).