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

C14H11FN4O — CID 763814

IUPACN-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C14H11FN4O/c1-9(20)16-11-4-7-13-14(8-11)18-19(17-13)12-5-2-10(15)3-6-12/h2-8H,1H3,(H,16,20)
InChIKeyRHBNKOGLTLAGBW-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.52
Rot. Bonds2

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

N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (PubChem CID 763814) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
PubChem CID763814
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C14H11FN4O/c1-9(20)16-11-4-7-13-14(8-11)18-19(17-13)12-5-2-10(15)3-6-12/h2-8H,1H3,(H,16,20)
InChIKeyRHBNKOGLTLAGBW-UHFFFAOYSA-N
XLogP2.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 591904
CID 591904
CID 721127
CID 721127
CID 738198
CID 738198
CID 231705
CID 231705
CID 721090
CID 721090
CID 737745
CID 737745
CID 4580516
CID 4580516
CID 648531
CID 648531
CID 652622
CID 652622
CID 807146
CID 807146
CID 881898
CID 881898
CID 14349221
CID 14349221

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide (CID 763814) is N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is CC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
The InChIKey is RHBNKOGLTLAGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-9(20)16-11-4-7-13-14(8-11)18-19(17-13)12-5-2-10(15)3-6-12/h2-8H,1H3,(H,16,20).
What are the key properties of N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide?
N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide has a molecular weight of 270.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 763814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).