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

C26H25FN4O2 — CID 17111035

IUPAC2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H25FN4O2/c27-20-8-11-22(12-9-20)31-29-24-15-10-21(16-25(24)30-31)28-26(32)17-33-23-13-6-19(7-14-23)18-4-2-1-3-5-18/h6-16,18H,1-5,17H2,(H,28,32)
InChIKeyVWCHSNNYIPPXTR-UHFFFAOYSA-N
MW444.51 g/mol
LogP5.62
Rot. Bonds6

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

2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (PubChem CID 17111035) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
PubChem CID17111035
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H25FN4O2/c27-20-8-11-22(12-9-20)31-29-24-15-10-21(16-25(24)30-31)28-26(32)17-33-23-13-6-19(7-14-23)18-4-2-1-3-5-18/h6-16,18H,1-5,17H2,(H,28,32)
InChIKeyVWCHSNNYIPPXTR-UHFFFAOYSA-N
XLogP5.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide
CID 163367302
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-phenoxyacetamide
CID 1209257
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7441969
2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
2-(4-cyclohexylphenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17110910
2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide
CID 19630470
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
2-(4-cyclohexylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092663
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 17219884

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (CID 17111035) is 2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The InChIKey is VWCHSNNYIPPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-20-8-11-22(12-9-20)31-29-24-15-10-21(16-25(24)30-31)28-26(32)17-33-23-13-6-19(7-14-23)18-4-2-1-3-5-18/h6-16,18H,1-5,17H2,(H,28,32).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide has a molecular weight of 444.51 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 17111035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).