N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C19H24ClFN2O4 — CID 119751526

IUPACN-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC.Cl
InChIInChI=1S/C19H23FN2O4.ClH/c1-13-4-6-17(18(10-13)25-3)26-16-7-5-14(20)11-15(16)22-19(23)12-21-8-9-24-2;/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,23);1H
InChIKeyKAZGHZFOIRKPRO-UHFFFAOYSA-N
MW398.86 g/mol
LogP3.53
Rot. Bonds9

About N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119751526) has the molecular formula C19H24ClFN2O4 and a molecular weight of 398.86 g/mol. Its IUPAC name is N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119751526
Molecular FormulaC19H24ClFN2O4
Molecular Weight398.86 g/mol
Exact Mass398.14
IUPAC NameN-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC.Cl
InChIInChI=1S/C19H23FN2O4.ClH/c1-13-4-6-17(18(10-13)25-3)26-16-7-5-14(20)11-15(16)22-19(23)12-21-8-9-24-2;/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,23);1H
InChIKeyKAZGHZFOIRKPRO-UHFFFAOYSA-N
XLogP3.53
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.86
LogP ≤ 53.53
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-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119751510
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120561352
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 103808635
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304876
2-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide
CID 119304879
N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119707722
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119751526) is N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC.Cl.
What is the InChIKey of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is KAZGHZFOIRKPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4.ClH/c1-13-4-6-17(18(10-13)25-3)26-16-7-5-14(20)11-15(16)22-19(23)12-21-8-9-24-2;/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 398.86 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119751526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).