N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide

C14H19BrN2O2 — CID 119812519

IUPACN-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
SMILESCCOc1cc(Br)ccc1NC(=O)CC1CCCN1
InChIInChI=1S/C14H19BrN2O2/c1-2-19-13-8-10(15)5-6-12(13)17-14(18)9-11-4-3-7-16-11/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyUZSYQAOMMGGJNT-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.93
Rot. Bonds5

About N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide

N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 119812519) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
PubChem CID119812519
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
SMILESCCOc1cc(Br)ccc1NC(=O)CC1CCCN1
InChIInChI=1S/C14H19BrN2O2/c1-2-19-13-8-10(15)5-6-12(13)17-14(18)9-11-4-3-7-16-11/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyUZSYQAOMMGGJNT-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119808246
N-(5-chloro-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61364064
N-[2-(4-ethoxyphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119680345
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-(2-bromo-5-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 81270551
N-[2-(ethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61370411
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119683547
N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711100
N-(5-bromo-2-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119833790

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide (CID 119812519) is N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide is CCOc1cc(Br)ccc1NC(=O)CC1CCCN1.
What is the InChIKey of N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is UZSYQAOMMGGJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-19-13-8-10(15)5-6-12(13)17-14(18)9-11-4-3-7-16-11/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide?
N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 327.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119812519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).