5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide

C24H28FN5O2 — CID 155563138

IUPAC5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(F)ccc1Cn1cc(-c2ccc(C)c(C(=O)NCCN3CCOCC3)c2)nn1
InChIInChI=1S/C24H28FN5O2/c1-17-3-4-19(14-22(17)24(31)26-7-8-29-9-11-32-12-10-29)23-16-30(28-27-23)15-20-5-6-21(25)13-18(20)2/h3-6,13-14,16H,7-12,15H2,1-2H3,(H,26,31)
InChIKeyZYVABJRQKYYACI-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.81
Rot. Bonds7

About 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide

5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 155563138) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID155563138
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cc(F)ccc1Cn1cc(-c2ccc(C)c(C(=O)NCCN3CCOCC3)c2)nn1
InChIInChI=1S/C24H28FN5O2/c1-17-3-4-19(14-22(17)24(31)26-7-8-29-9-11-32-12-10-29)23-16-30(28-27-23)15-20-5-6-21(25)13-18(20)2/h3-6,13-14,16H,7-12,15H2,1-2H3,(H,26,31)
InChIKeyZYVABJRQKYYACI-UHFFFAOYSA-N
XLogP2.81
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]benzamide
CID 155539093
5-[1-[(4-cyanophenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 155555076
methyl 4-[[4-[4-methyl-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]triazol-1-yl]methyl]benzoate
CID 155544435
2-methyl-N-(2-morpholin-4-ylethyl)-5-[1-[[4-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]benzamide
CID 155542665
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
1-acetyl-6-fluoro-N-(2-morpholin-4-ylethyl)indole-3-carboxamide
CID 113212878
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863
1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 26395239
4-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110332223
1-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxamide
CID 6488121

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 155563138) is 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1cc(F)ccc1Cn1cc(-c2ccc(C)c(C(=O)NCCN3CCOCC3)c2)nn1.
What is the InChIKey of 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is ZYVABJRQKYYACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-17-3-4-19(14-22(17)24(31)26-7-8-29-9-11-32-12-10-29)23-16-30(28-27-23)15-20-5-6-21(25)13-18(20)2/h3-6,13-14,16H,7-12,15H2,1-2H3,(H,26,31).
What are the key properties of 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 437.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluoro-2-methylphenyl)methyl]triazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 155563138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).