N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide

C14H11ClN4O — CID 652622

IUPACN-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
SMILESCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C14H11ClN4O/c1-9(20)16-12-8-14-13(7-11(12)15)17-19(18-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,20)
InChIKeyAVIGRFVAIULLAQ-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.03
Rot. Bonds2

About N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide

N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide (PubChem CID 652622) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
PubChem CID652622
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
SMILESCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C14H11ClN4O/c1-9(20)16-12-8-14-13(7-11(12)15)17-19(18-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,20)
InChIKeyAVIGRFVAIULLAQ-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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Related Compounds

2-(4-Chlorophenyl)-2H-1,2,3-benzotriazol-5-ylamine
CID 721114
6-chloro-2-phenyl-2H-benzotriazol-5-amine
CID 736374
2-(3-Chlorophenyl)-2H-benzotriazol-5-amine
CID 721110
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
1-(3-Chloro-phenyl)-3-(1-methyl-1H-benzotriazol-5-yl)-urea
CID 893344
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
CID 648531
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
CID 738267
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 881898
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2,2-dimethylpropanamide
CID 960954
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-3-methylbutanamide
CID 960956
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide?
The IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide (CID 652622) is N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide?
The canonical SMILES for N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide is CC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl.
What is the InChIKey of N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide?
The InChIKey is AVIGRFVAIULLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-9(20)16-12-8-14-13(7-11(12)15)17-19(18-14)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,20).
What are the key properties of N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide?
N-(6-chloro-2-phenylbenzotriazol-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-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 652622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).