N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

C16H24Cl2FN3O2 — CID 119871807

IUPACN-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)Nc1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C16H22FN3O2.2ClH/c17-12-8-14(19-16(21)11-13-2-1-3-18-13)10-15(9-12)20-4-6-22-7-5-20;;/h8-10,13,18H,1-7,11H2,(H,19,21);2*1H
InChIKeyWVTOXFPYQLMHPP-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.59
Rot. Bonds4

About N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119871807) has the molecular formula C16H24Cl2FN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119871807
Molecular FormulaC16H24Cl2FN3O2
Molecular Weight380.29 g/mol
Exact Mass379.12
IUPAC NameN-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)Nc1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C16H22FN3O2.2ClH/c17-12-8-14(19-16(21)11-13-2-1-3-18-13)10-15(9-12)20-4-6-22-7-5-20;;/h8-10,13,18H,1-7,11H2,(H,19,21);2*1H
InChIKeyWVTOXFPYQLMHPP-UHFFFAOYSA-N
XLogP2.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119840808
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790
5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 61363711
N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
CID 119871805
N-(2-morpholin-4-yl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 119845865
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727665
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 120799542
(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 129403478
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119871807) is N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)Nc1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is WVTOXFPYQLMHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2.2ClH/c17-12-8-14(19-16(21)11-13-2-1-3-18-13)10-15(9-12)20-4-6-22-7-5-20;;/h8-10,13,18H,1-7,11H2,(H,19,21);2*1H.
What are the key properties of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 380.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119871807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).