N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C21H26ClFN2O3 — CID 119809463

IUPACN-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1cccc(C(NC(=O)CC2CCCN2)c2cc(F)ccc2OC)c1.Cl
InChIInChI=1S/C21H25FN2O3.ClH/c1-26-17-7-3-5-14(11-17)21(18-12-15(22)8-9-19(18)27-2)24-20(25)13-16-6-4-10-23-16;/h3,5,7-9,11-12,16,21,23H,4,6,10,13H2,1-2H3,(H,24,25);1H
InChIKeyPMLUSIIBKNOWEK-UHFFFAOYSA-N
MW408.90 g/mol
LogP3.61
Rot. Bonds7

About N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119809463) has the molecular formula C21H26ClFN2O3 and a molecular weight of 408.90 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119809463
Molecular FormulaC21H26ClFN2O3
Molecular Weight408.90 g/mol
Exact Mass408.16
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1cccc(C(NC(=O)CC2CCCN2)c2cc(F)ccc2OC)c1.Cl
InChIInChI=1S/C21H25FN2O3.ClH/c1-26-17-7-3-5-14(11-17)21(18-12-15(22)8-9-19(18)27-2)24-20(25)13-16-6-4-10-23-16;/h3,5,7-9,11-12,16,21,23H,4,6,10,13H2,1-2H3,(H,24,25);1H
InChIKeyPMLUSIIBKNOWEK-UHFFFAOYSA-N
XLogP3.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119809465
3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809451
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119810405
N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
CID 164631617
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119831071
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119785383
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119852182
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119801663
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795513
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119724717
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119809463) is N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is COc1cccc(C(NC(=O)CC2CCCN2)c2cc(F)ccc2OC)c1.Cl.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is PMLUSIIBKNOWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3.ClH/c1-26-17-7-3-5-14(11-17)21(18-12-15(22)8-9-19(18)27-2)24-20(25)13-16-6-4-10-23-16;/h3,5,7-9,11-12,16,21,23H,4,6,10,13H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 408.90 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119809463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).