2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C18H19BrClFN2O2 — CID 119451175

IUPAC2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C(Oc1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C18H18BrFN2O2.ClH/c19-13-6-7-16(15(20)10-13)24-17(12-4-2-1-3-5-12)18(23)22-14-8-9-21-11-14;/h1-7,10,14,17,21H,8-9,11H2,(H,22,23);1H
InChIKeyMGWSUHBNSAWBTA-UHFFFAOYSA-N
MW429.72 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119451175) has the molecular formula C18H19BrClFN2O2 and a molecular weight of 429.72 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119451175
Molecular FormulaC18H19BrClFN2O2
Molecular Weight429.72 g/mol
Exact Mass428.03
IUPAC Name2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C(Oc1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C18H18BrFN2O2.ClH/c19-13-6-7-16(15(20)10-13)24-17(12-4-2-1-3-5-12)18(23)22-14-8-9-21-11-14;/h1-7,10,14,17,21H,8-9,11H2,(H,22,23);1H
InChIKeyMGWSUHBNSAWBTA-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.72
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 119452268
2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449871
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 42931000
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
CID 119449948
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)-2-phenylacetamide
CID 9414957
5-bromo-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967062
N-[2-oxo-1-phenyl-2-(pyrrolidin-3-ylamino)ethyl]benzamide
CID 119449549

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119451175) is 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is Cl.O=C(NC1CCNC1)C(Oc1ccc(Br)cc1F)c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is MGWSUHBNSAWBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2.ClH/c19-13-6-7-16(15(20)10-13)24-17(12-4-2-1-3-5-12)18(23)22-14-8-9-21-11-14;/h1-7,10,14,17,21H,8-9,11H2,(H,22,23);1H.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 429.72 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119451175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).