N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride

C23H24Cl2FN3O3 — CID 47008105

IUPACN-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCCc2ccccn2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C23H23ClFN3O3.ClH/c1-30-22-12-16(14-26-11-9-17-4-2-3-10-27-17)5-8-21(22)31-15-23(29)28-18-6-7-20(25)19(24)13-18;/h2-8,10,12-13,26H,9,11,14-15H2,1H3,(H,28,29);1H
InChIKeyNFWNLSNOSBTVDO-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.65
Rot. Bonds10

About N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride

N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 47008105) has the molecular formula C23H24Cl2FN3O3 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID47008105
Molecular FormulaC23H24Cl2FN3O3
Molecular Weight480.37 g/mol
Exact Mass479.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCCc2ccccn2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C23H23ClFN3O3.ClH/c1-30-22-12-16(14-26-11-9-17-4-2-3-10-27-17)5-8-21(22)31-15-23(29)28-18-6-7-20(25)19(24)13-18;/h2-8,10,12-13,26H,9,11,14-15H2,1H3,(H,28,29);1H
InChIKeyNFWNLSNOSBTVDO-UHFFFAOYSA-N
XLogP4.65
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023392
2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525668
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[[[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]methyl]phenoxy]acetamide
CID 26697829
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126264485
N-tert-butyl-2-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 17208545
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804153
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 47008105) is N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride is COc1cc(CNCCc2ccccn2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1.Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is NFWNLSNOSBTVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O3.ClH/c1-30-22-12-16(14-26-11-9-17-4-2-3-10-27-17)5-8-21(22)31-15-23(29)28-18-6-7-20(25)19(24)13-18;/h2-8,10,12-13,26H,9,11,14-15H2,1H3,(H,28,29);1H.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride?
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 480.37 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 47008105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).