N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H19ClF2N2O2 — CID 119778380

IUPACN-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCCOc1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2.ClH/c15-12-4-3-11(9-13(12)16)20-7-6-18-14(19)8-10-2-1-5-17-10;/h3-4,9-10,17H,1-2,5-8H2,(H,18,19);1H
InChIKeyLBMRKQDNYJVOFA-UHFFFAOYSA-N
MW320.77 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119778380) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119778380
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC NameN-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NCCOc1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O2.ClH/c15-12-4-3-11(9-13(12)16)20-7-6-18-14(19)8-10-2-1-5-17-10;/h3-4,9-10,17H,1-2,5-8H2,(H,18,19);1H
InChIKeyLBMRKQDNYJVOFA-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119748101
N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119320549
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
(2S,4S)-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631586
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119780508
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
N-[(3-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119707933

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119778380) is N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)NCCOc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is LBMRKQDNYJVOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2.ClH/c15-12-4-3-11(9-13(12)16)20-7-6-18-14(19)8-10-2-1-5-17-10;/h3-4,9-10,17H,1-2,5-8H2,(H,18,19);1H.
What are the key properties of N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119778380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).