N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C18H21ClN2O2 — CID 119673254

IUPACN-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H20N2O2.ClH/c21-18(13-14-7-5-11-19-14)20-15-6-4-10-17(12-15)22-16-8-2-1-3-9-16;/h1-4,6,8-10,12,14,19H,5,7,11,13H2,(H,20,21);1H
InChIKeyVMHRCUWNMPUEPC-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.98
Rot. Bonds5

About N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119673254) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119673254
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H20N2O2.ClH/c21-18(13-14-7-5-11-19-14)20-15-6-4-10-17(12-15)22-16-8-2-1-3-9-16;/h1-4,6,8-10,12,14,19H,5,7,11,13H2,(H,20,21);1H
InChIKeyVMHRCUWNMPUEPC-UHFFFAOYSA-N
XLogP3.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]benzamide;hydrochloride
CID 119779671
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
N-(6-phenoxy-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119849176
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713879
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119723072
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119846187
N-(3-methoxyphenyl)-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119680067

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119673254) is N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is VMHRCUWNMPUEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.ClH/c21-18(13-14-7-5-11-19-14)20-15-6-4-10-17(12-15)22-16-8-2-1-3-9-16;/h1-4,6,8-10,12,14,19H,5,7,11,13H2,(H,20,21);1H.
What are the key properties of N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119673254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).