2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C19H21ClF2N2O2 — CID 119551631

IUPAC2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C19H20F2N2O2.ClH/c1-23(14-9-10-22-12-14)19(24)18(13-5-3-2-4-6-13)25-15-7-8-16(20)17(21)11-15;/h2-8,11,14,18,22H,9-10,12H2,1H3;1H
InChIKeyPOBLHOREFUKJAG-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.33
Rot. Bonds5

About 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119551631) has the molecular formula C19H21ClF2N2O2 and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119551631
Molecular FormulaC19H21ClF2N2O2
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C19H20F2N2O2.ClH/c1-23(14-9-10-22-12-14)19(24)18(13-5-3-2-4-6-13)25-15-7-8-16(20)17(21)11-15;/h2-8,11,14,18,22H,9-10,12H2,1H3;1H
InChIKeyPOBLHOREFUKJAG-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552845
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554555
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119554556
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119551607
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552777
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666
2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511547
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119551631) is 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CN(C(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1)C1CCNC1.Cl.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is POBLHOREFUKJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2.ClH/c1-23(14-9-10-22-12-14)19(24)18(13-5-3-2-4-6-13)25-15-7-8-16(20)17(21)11-15;/h2-8,11,14,18,22H,9-10,12H2,1H3;1H.
What are the key properties of 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119551631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).