2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide

C19H20FN5O3 — CID 3212209

IUPAC2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
SMILESCOCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O3/c1-28-11-10-21-18(26)12-24(15-8-6-14(20)7-9-15)19(27)13-25-17-5-3-2-4-16(17)22-23-25/h2-9H,10-13H2,1H3,(H,21,26)
InChIKeyRPYWBHVTCUUGJL-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.37
Rot. Bonds8

About 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide

2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide (PubChem CID 3212209) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
PubChem CID3212209
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
SMILESCOCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O3/c1-28-11-10-21-18(26)12-24(15-8-6-14(20)7-9-15)19(27)13-25-17-5-3-2-4-16(17)22-23-25/h2-9H,10-13H2,1H3,(H,21,26)
InChIKeyRPYWBHVTCUUGJL-UHFFFAOYSA-N
XLogP1.37
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide (CID 3212209) is 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide is COCCNC(=O)CN(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide?
The InChIKey is RPYWBHVTCUUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-28-11-10-21-18(26)12-24(15-8-6-14(20)7-9-15)19(27)13-25-17-5-3-2-4-16(17)22-23-25/h2-9H,10-13H2,1H3,(H,21,26).
What are the key properties of 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide?
2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide has a molecular weight of 385.40 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(4-fluorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 3212209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).