N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

C22H24ClN5O2 — CID 30847412

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C22H24ClN5O2/c1-14-4-6-19(15(2)12-14)28-25-16(3)21(26-28)22(29)24-18-13-17(23)5-7-20(18)27-8-10-30-11-9-27/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)
InChIKeyWFELUSCNDYZSPB-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.93
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 30847412) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID30847412
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C22H24ClN5O2/c1-14-4-6-19(15(2)12-14)28-25-16(3)21(26-28)22(29)24-18-13-17(23)5-7-20(18)27-8-10-30-11-9-27/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)
InChIKeyWFELUSCNDYZSPB-UHFFFAOYSA-N
XLogP3.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 8569599
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561882
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 134030385
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 112768774
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
2-(2,4-dimethylphenyl)-5-methyl-N-(2-propan-2-ylpyrazol-3-yl)triazole-4-carboxamide
CID 30183644
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 30847412) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)n2)c(C)c1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is WFELUSCNDYZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-14-4-6-19(15(2)12-14)28-25-16(3)21(26-28)22(29)24-18-13-17(23)5-7-20(18)27-8-10-30-11-9-27/h4-7,12-13H,8-11H2,1-3H3,(H,24,29).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 30847412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).