2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide

C21H16Cl2N4O2 — CID 1292982

IUPAC2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)ccc1Cl
InChIInChI=1S/C21H16Cl2N4O2/c1-13-9-15(7-8-16(13)22)29-12-21(28)24-18-11-20-19(10-17(18)23)25-27(26-20)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,28)
InChIKeyFGMNGIAMODPQKB-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.05
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide (PubChem CID 1292982) has the molecular formula C21H16Cl2N4O2 and a molecular weight of 427.29 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
PubChem CID1292982
Molecular FormulaC21H16Cl2N4O2
Molecular Weight427.29 g/mol
Exact Mass426.07
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)ccc1Cl
InChIInChI=1S/C21H16Cl2N4O2/c1-13-9-15(7-8-16(13)22)29-12-21(28)24-18-11-20-19(10-17(18)23)25-27(26-20)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,28)
InChIKeyFGMNGIAMODPQKB-UHFFFAOYSA-N
XLogP5.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 17220325
2-(2-chlorophenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 4502278
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
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
2-(4-chloro-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130812
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,4-dimethylbenzamide
CID 1397277
N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-ethoxybenzamide
CID 4503742
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 95733640
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 30335947

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide (CID 1292982) is 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide is Cc1cc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide?
The InChIKey is FGMNGIAMODPQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2/c1-13-9-15(7-8-16(13)22)29-12-21(28)24-18-11-20-19(10-17(18)23)25-27(26-20)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,24,28).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide has a molecular weight of 427.29 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 1292982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).