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

C18H19Cl3N2O2 — CID 119449871

IUPAC2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C(Oc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H18Cl2N2O2.ClH/c19-15-7-6-14(10-16(15)20)24-17(12-4-2-1-3-5-12)18(23)22-13-8-9-21-11-13;/h1-7,10,13,17,21H,8-9,11H2,(H,22,23);1H
InChIKeyLUGNUPVNMFVIPY-UHFFFAOYSA-N
MW401.72 g/mol
LogP4.01
Rot. Bonds5

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

2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119449871) has the molecular formula C18H19Cl3N2O2 and a molecular weight of 401.72 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119449871
Molecular FormulaC18H19Cl3N2O2
Molecular Weight401.72 g/mol
Exact Mass400.05
IUPAC Name2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C(Oc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C18H18Cl2N2O2.ClH/c19-15-7-6-14(10-16(15)20)24-17(12-4-2-1-3-5-12)18(23)22-13-8-9-21-11-13;/h1-7,10,13,17,21H,8-9,11H2,(H,22,23);1H
InChIKeyLUGNUPVNMFVIPY-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.72
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-(3,4-dichlorophenoxy)-2-phenylacetamide
CID 9417632
2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 119452268
2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451175
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylpropanamide
CID 119386601
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
N-(3-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120557297
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenoxy-2-phenylacetamide;hydrochloride
CID 119457115
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120943683
N-[2-oxo-1-phenyl-2-(pyrrolidin-3-ylamino)ethyl]benzamide
CID 119449549
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386912
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
CID 119449948

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119449871) is 2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is Cl.O=C(NC1CCNC1)C(Oc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is LUGNUPVNMFVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2.ClH/c19-15-7-6-14(10-16(15)20)24-17(12-4-2-1-3-5-12)18(23)22-13-8-9-21-11-13;/h1-7,10,13,17,21H,8-9,11H2,(H,22,23);1H.
What are the key properties of 2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 401.72 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119449871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).