N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide

C21H15Cl3N4O2 — CID 17220325

IUPACN-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C21H15Cl3N4O2/c1-12-7-13(22)8-16(24)21(12)30-11-20(29)25-17-10-19-18(9-15(17)23)26-28(27-19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,25,29)
InChIKeyNPGIJUHLYCHWAC-UHFFFAOYSA-N
MW461.74 g/mol
LogP5.71
Rot. Bonds5

About N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide

N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide (PubChem CID 17220325) has the molecular formula C21H15Cl3N4O2 and a molecular weight of 461.74 g/mol. Its IUPAC name is N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
PubChem CID17220325
Molecular FormulaC21H15Cl3N4O2
Molecular Weight461.74 g/mol
Exact Mass460.03
IUPAC NameN-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C21H15Cl3N4O2/c1-12-7-13(22)8-16(24)21(12)30-11-20(29)25-17-10-19-18(9-15(17)23)26-28(27-19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,25,29)
InChIKeyNPGIJUHLYCHWAC-UHFFFAOYSA-N
XLogP5.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.74
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 1292982
2-(2-chlorophenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 4502278
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 17220518
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]acetamide
CID 23099238
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-2-ylacetamide
CID 2892737
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
2-(2-chloro-4,6-dimethylphenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
CID 17219947
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide
CID 1397277
N-(4-bromo-2-fluorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 2275203
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 4517152

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide (CID 17220325) is N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide.
What is the SMILES notation for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The canonical SMILES for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide is Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl.
What is the InChIKey of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
The InChIKey is NPGIJUHLYCHWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N4O2/c1-12-7-13(22)8-16(24)21(12)30-11-20(29)25-17-10-19-18(9-15(17)23)26-28(27-19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,25,29).
What are the key properties of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide?
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide has a molecular weight of 461.74 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide is sourced from PubChem (CID 17220325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).