2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide

C24H21ClN4O3 — CID 42778412

IUPAC2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide
SMILESCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C24H21ClN4O3/c1-16-5-3-4-6-21(16)23-27-24(31-2)28-29(23)19-11-9-18(10-12-19)26-22(30)15-32-20-13-7-17(25)8-14-20/h3-14H,15H2,1-2H3,(H,26,30)
InChIKeyNIUVOCWJAIRBID-UHFFFAOYSA-N
MW448.91 g/mol
LogP4.92
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide

2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide (PubChem CID 42778412) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide
PubChem CID42778412
Molecular FormulaC24H21ClN4O3
Molecular Weight448.91 g/mol
Exact Mass448.13
IUPAC Name2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide
SMILESCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C24H21ClN4O3/c1-16-5-3-4-6-21(16)23-27-24(31-2)28-29(23)19-11-9-18(10-12-19)26-22(30)15-32-20-13-7-17(25)8-14-20/h3-14H,15H2,1-2H3,(H,26,30)
InChIKeyNIUVOCWJAIRBID-UHFFFAOYSA-N
XLogP4.92
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-3-phenylpropanamide
CID 1029177
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]furan-2-carboxamide
CID 1029171
2-chloro-N-[4-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 4173586
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
(2S)-2-chloro-N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]propanamide
CID 1029331
2,6-dimethoxy-N-[4-[5-(2-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 1029329
N-[4-[5-(2-fluorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026902
2-(4-chlorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)acetamide
CID 91969137
N-[4-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]hexanamide
CID 4565410
N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
CID 113017182

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide (CID 42778412) is 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide is COc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide?
The InChIKey is NIUVOCWJAIRBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c1-16-5-3-4-6-21(16)23-27-24(31-2)28-29(23)19-11-9-18(10-12-19)26-22(30)15-32-20-13-7-17(25)8-14-20/h3-14H,15H2,1-2H3,(H,26,30).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide has a molecular weight of 448.91 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 42778412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).