2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide

C18H19BrN2O2 — CID 119452268

IUPAC2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide
SMILESO=C(NC1CCNC1)C(Oc1ccccc1Br)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c19-15-8-4-5-9-16(15)23-17(13-6-2-1-3-7-13)18(22)21-14-10-11-20-12-14/h1-9,14,17,20H,10-12H2,(H,21,22)
InChIKeyHKSSVUVMZBHYRG-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.05
Rot. Bonds5

About 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide

2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119452268) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide
PubChem CID119452268
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide
SMILESO=C(NC1CCNC1)C(Oc1ccccc1Br)c1ccccc1
InChIInChI=1S/C18H19BrN2O2/c19-15-8-4-5-9-16(15)23-17(13-6-2-1-3-7-13)18(22)21-14-10-11-20-12-14/h1-9,14,17,20H,10-12H2,(H,21,22)
InChIKeyHKSSVUVMZBHYRG-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451175
2-(3,4-dichlorophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449871
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)-2-phenylacetamide
CID 9414957
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
CID 119449948
N-[2-oxo-1-phenyl-2-(pyrrolidin-3-ylamino)ethyl]benzamide
CID 119449549
2-(2-propan-2-yloxyphenyl)-N-pyrrolidin-3-ylacetamide
CID 119450481
2-(2-chlorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119451437
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
2-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethoxy]-N-phenylbenzamide
CID 9416652
2-(2-bromo-4-chlorophenoxy)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 42931000
2-(2-bromophenoxy)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 112845969

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide (CID 119452268) is 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide is O=C(NC1CCNC1)C(Oc1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is HKSSVUVMZBHYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-15-8-4-5-9-16(15)23-17(13-6-2-1-3-7-13)18(22)21-14-10-11-20-12-14/h1-9,14,17,20H,10-12H2,(H,21,22).
What are the key properties of 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide?
2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 375.27 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-2-phenyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119452268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).