2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide

C15H21BrN2O — CID 115267561

IUPAC2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
SMILESCNCC1(CNC(=O)Cc2cccc(Br)c2)CCC1
InChIInChI=1S/C15H21BrN2O/c1-17-10-15(6-3-7-15)11-18-14(19)9-12-4-2-5-13(16)8-12/h2,4-5,8,17H,3,6-7,9-11H2,1H3,(H,18,19)
InChIKeyIEDWYCZWNBLZAB-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.50
Rot. Bonds6

About 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide

2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide (PubChem CID 115267561) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
PubChem CID115267561
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
SMILESCNCC1(CNC(=O)Cc2cccc(Br)c2)CCC1
InChIInChI=1S/C15H21BrN2O/c1-17-10-15(6-3-7-15)11-18-14(19)9-12-4-2-5-13(16)8-12/h2,4-5,8,17H,3,6-7,9-11H2,1H3,(H,18,19)
InChIKeyIEDWYCZWNBLZAB-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267551
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115272124
3-(4-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]propanamide
CID 115272142
3-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267528
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
CID 113272403
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
CID 115271382
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide (CID 115267561) is 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide is CNCC1(CNC(=O)Cc2cccc(Br)c2)CCC1.
What is the InChIKey of 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide?
The InChIKey is IEDWYCZWNBLZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-17-10-15(6-3-7-15)11-18-14(19)9-12-4-2-5-13(16)8-12/h2,4-5,8,17H,3,6-7,9-11H2,1H3,(H,18,19).
What are the key properties of 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide?
2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide has a molecular weight of 325.25 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 115267561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).