2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide

C20H14ClFN4O2 — CID 1364464

IUPAC2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14ClFN4O2/c21-13-1-8-17(9-2-13)28-12-20(27)23-15-5-10-18-19(11-15)25-26(24-18)16-6-3-14(22)4-7-16/h1-11H,12H2,(H,23,27)
InChIKeyXSXSKSMDNAONAC-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.23
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (PubChem CID 1364464) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
PubChem CID1364464
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H14ClFN4O2/c21-13-1-8-17(9-2-13)28-12-20(27)23-15-5-10-18-19(11-15)25-26(24-18)16-6-3-14(22)4-7-16/h1-11H,12H2,(H,23,27)
InChIKeyXSXSKSMDNAONAC-UHFFFAOYSA-N
XLogP4.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (CID 1364464) is 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The InChIKey is XSXSKSMDNAONAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-13-1-8-17(9-2-13)28-12-20(27)23-15-5-10-18-19(11-15)25-26(24-18)16-6-3-14(22)4-7-16/h1-11H,12H2,(H,23,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide has a molecular weight of 396.81 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1364464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).