N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide

C20H24ClFN2O3 — CID 24574371

IUPACN-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C20H24ClFN2O3/c1-3-24(11-17(25)13-27-18-8-6-16(22)7-9-18)12-20(26)23-19-10-15(21)5-4-14(19)2/h4-10,17,25H,3,11-13H2,1-2H3,(H,23,26)
InChIKeyXPQHMRQFYLDTLF-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.49
Rot. Bonds9

About N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide (PubChem CID 24574371) has the molecular formula C20H24ClFN2O3 and a molecular weight of 394.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide
PubChem CID24574371
Molecular FormulaC20H24ClFN2O3
Molecular Weight394.87 g/mol
Exact Mass394.15
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C20H24ClFN2O3/c1-3-24(11-17(25)13-27-18-8-6-16(22)7-9-18)12-20(26)23-19-10-15(21)5-4-14(19)2/h4-10,17,25H,3,11-13H2,1-2H3,(H,23,26)
InChIKeyXPQHMRQFYLDTLF-UHFFFAOYSA-N
XLogP3.49
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide
CID 31884698
N-(5-chloro-2-methylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2990028
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42926027
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
2-[ethyl-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 18085874
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3358994

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide (CID 24574371) is N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(O)COc1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide?
The InChIKey is XPQHMRQFYLDTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O3/c1-3-24(11-17(25)13-27-18-8-6-16(22)7-9-18)12-20(26)23-19-10-15(21)5-4-14(19)2/h4-10,17,25H,3,11-13H2,1-2H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide has a molecular weight of 394.87 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide is sourced from PubChem (CID 24574371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).