N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide

C17H23BrN2O — CID 119744834

IUPACN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C17H23BrN2O/c18-14-5-1-4-13(10-14)17(7-3-8-17)12-20-16(21)11-15-6-2-9-19-15/h1,4-5,10,15,19H,2-3,6-9,11-12H2,(H,20,21)
InChIKeyMHUSDGNGZJMWEG-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.13
Rot. Bonds5

About N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide

N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119744834) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119744834
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC NameN-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C17H23BrN2O/c18-14-5-1-4-13(10-14)17(7-3-8-17)12-20-16(21)11-15-6-2-9-19-15/h1,4-5,10,15,19H,2-3,6-9,11-12H2,(H,20,21)
InChIKeyMHUSDGNGZJMWEG-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119770594
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119799758
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 119301112
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119787567
2-(4-aminophenyl)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119744805
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1H-imidazol-2-yl)acetamide
CID 138034170
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804610
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 55973948
3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
CID 119744824
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119804609

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide (CID 119744834) is N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is MHUSDGNGZJMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c18-14-5-1-4-13(10-14)17(7-3-8-17)12-20-16(21)11-15-6-2-9-19-15/h1,4-5,10,15,19H,2-3,6-9,11-12H2,(H,20,21).
What are the key properties of N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide?
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 351.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119744834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).