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

C14H11ClN4O — CID 56683400

IUPACN-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H11ClN4O/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)
InChIKeyWYZPEJBQLZCYNP-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.03
Rot. Bonds2

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

N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide (PubChem CID 56683400) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide
PubChem CID56683400
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H11ClN4O/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)
InChIKeyWYZPEJBQLZCYNP-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide (CID 56683400) is N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide is CC(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide?
The InChIKey is WYZPEJBQLZCYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/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-chlorophenyl)benzotriazol-5-yl]acetamide?
N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide has a molecular weight of 286.72 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 56683400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).